| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.1 | Low | 57.4 | Low | 245 Ų | 245 | 145.4 Ų | 145.4 | 100% | 1.207 | 82% | 0.822 | S | S | * | * | 0 | 123 | 0 | -78.7 | 126.6 | 85.1 | 0 | 0 | 108 | |||||
| 2 | F | 59.4 | Low | 57 | Low | 170 Ų | 170 | 145.9 Ų | 145.9 | 75% | 0.746 | 82% | 0.821 | S | S | * | * | trans | -81.1 | 167.6 | 166.1 | -70.8 | -74.4 | 0 | 0 | 0 | 109.3 | F4 | F2-F4 AromaticContact CD1-CD2 3.61Å; F2-F4 HydrophobicContact CD1-CD2 3.61Å; F2-F4 AromaticContact CD1-CE2 3.69Å; F2-F4 HydrophobicContact CD1-CE2 3.69Å; F2-F4 AromaticContact CE1-CD2 3.76Å; F2-F4 HydrophobicContact CE1-CD2 3.76Å; F2-F4 AromaticContact CE1-CE2 3.31Å; F2-F4 HydrophobicContact CE1-CE2 3.31Å; F2-F4 HydrophobicContact CE1-CZ 4.23Å; F2-F4 HydrophobicContact CG-CD2 4.26Å; F2-F4 AromaticContact CZ-CE2 3.88Å; F2-F4 HydrophobicContact CZ-CE2 3.88Å | ||
| 3 | P | 67.7 | Low | 57.4 | Low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | -118.9 | 147.1 | 72.3 | -0.8 | 22.8 | 0 | 0 | 0 | 114.3 | |||||
| 4 | F | 52 | Low | 57.8 | Low | 170 Ų | 170 | 144.9 Ų | 144.9 | 75% | 0.746 | 82% | 0.818 | S | S | * | * | trans | -73.7 | 144.2 | 156.4 | -88.9 | -96.5 | 0 | 0 | 0 | 109.4 | F2 | F2-F4 AromaticContact CD1-CD2 3.61Å; F2-F4 HydrophobicContact CD1-CD2 3.61Å; F2-F4 AromaticContact CD1-CE2 3.69Å; F2-F4 HydrophobicContact CD1-CE2 3.69Å; F2-F4 AromaticContact CE1-CD2 3.76Å; F2-F4 HydrophobicContact CE1-CD2 3.76Å; F2-F4 AromaticContact CE1-CE2 3.31Å; F2-F4 HydrophobicContact CE1-CE2 3.31Å; F2-F4 HydrophobicContact CE1-CZ 4.23Å; F2-F4 HydrophobicContact CG-CD2 4.26Å; F2-F4 AromaticContact CZ-CE2 3.88Å; F2-F4 HydrophobicContact CZ-CE2 3.88Å | ||
| 5 | C | 65.5 | Low | 57.6 | Low | 128 Ų | 128 | 146.5 Ų | 146.5 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -91.2 | 109.5 | 160.2 | -80.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | D | 52 | Low | 57.6 | Low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -80.8 | 143 | 167.3 | -157.1 | -13.1 | 0 | 0 | 0 | 109.1 | ||||
| 7 | S | 58.9 | Low | 57.4 | Low | 106 Ų | 106 | 152.7 Ų | 152.7 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -155.3 | 92.7 | -178.9 | -78 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | S | 58.7 | Low | 56.8 | Low | 116 Ų | 116 | 154.1 Ų | 154.1 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | 28.8 | 106.8 | 147 | -59.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 9 | S | 52.2 | Low | 56.4 | Low | 97 Ų | 97 | 154.5 Ų | 154.5 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | -60 | 139.3 | 165.1 | -177.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | P | 58.3 | Low | 56.3 | Low | 121 Ų | 121 | 155.7 Ų | 155.7 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -103.8 | 64.9 | 166.2 | 38.5 | -30.7 | 0 | 0 | 0 | 111.1 | ||||
| 11 | M | 51.7 | Low | 55.9 | Low | 162 Ų | 162 | 156.5 Ų | 156.5 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | trans | -131 | 68.7 | 179.7 | -77.3 | -66.7 | -63.9 | 0 | 0 | 111.9 | ||||
| 12 | D | 52.9 | Low | 55.7 | Low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -153.5 | 101.2 | 158.8 | -134.8 | -32.1 | 0 | 0 | 0 | 110.7 | ||||
| 13 | L | 61.5 | Low | 55.8 | Low | 164 Ų | 164 | 148.6 Ų | 148.6 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -137.9 | 119.7 | 167.1 | -94.4 | 115.6 | 0 | 0 | 0 | 108.4 | L15 | L13-L15 PolarHBondContact O-N 3.49Š| ||
| 14 | P | 63.1 | Low | 55.1 | Low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | trans | -73 | 131.7 | -167.4 | 26.6 | -34.3 | 0 | 0 | 0 | 112.9 | Y16 | P14-Y16 PolarHBondContact O-N 3.41Š| ||
| 15 | L | 55.3 | Low | 55 | Low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 46.4 | -173 | -143.6 | 171.5 | 0 | 0 | 0 | 113 | L13 | L13-L15 PolarHBondContact O-N 3.49Š|
| 16 | Y | 56.8 | Low | 54.9 | Low | 206 Ų | 206 | 144.4 Ų | 144.4 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -3.4 | -170.4 | -154.7 | -100.6 | 0 | 0 | 0 | 115.5 | P14 | P14-Y16 PolarHBondContact O-N 3.41Š|
| 17 | Q | 54 | Low | 54.6 | Low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -103.2 | 2.1 | 178.6 | -77 | -167.4 | 29.6 | 0 | 0 | 115.5 | L19 | Q17-L19 PolarHBondContact O-N 2.89Š|
| 18 | Q | 46.6 | Very low | 54.3 | Low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -101.1 | 40.4 | -172.1 | -157.2 | 148.4 | -72.9 | 0 | 0 | 114.5 | ||||
| 19 | L | 50.5 | Low | 53.8 | Low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -124.9 | 9.3 | -178.1 | -75.8 | 177.8 | 0 | 0 | 0 | 115.6 | Q17 | Q17-L19 PolarHBondContact O-N 2.89Š|
| 20 | Q | 54.4 | Low | 53.4 | Low | 179 Ų | 179 | 154 Ų | 154 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -134 | 43.9 | -172.4 | -70.1 | -177.3 | -62.8 | 0 | 0 | 115.4 | ||||
| 21 | L | 48.2 | Very low | 53 | Low | 173 Ų | 173 | 153.8 Ų | 153.8 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | trans | -136.9 | 79.7 | 169.4 | -71.8 | 176.7 | 0 | 0 | 0 | 112.4 | P23 | L21-P23 WeakPolarHBondContact O-CD 3.29Š| ||
| 22 | S | 50.6 | Low | 52.5 | Low | 121 Ų | 121 | 151.3 Ų | 151.3 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -87.8 | 113.6 | 165.1 | -56.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | P | 61.6 | Low | 52 | Low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129.8 | 170.1 | 29.5 | -31.7 | 0 | 0 | 0 | 110.7 | L21 | L21-P23 WeakPolarHBondContact O-CD 3.29Š|
| 24 | S | 53.3 | Low | 51.1 | Low | 116 Ų | 116 | 149.9 Ų | 149.9 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 151.4 | -177.5 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 25 | S | 48.8 | Very low | 50.3 | Low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134.3 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | K27 | S25-K27 PolarHBondContact O-N 3.1Š|
| 26 | P | 64 | Low | 49.6 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 109.9 | 163.8 | 30.3 | -30.7 | 0 | 0 | 0 | 110 | ||||
| 27 | K | 45.9 | Very low | 49.1 | Very low | 211 Ų | 211 | 150.2 Ų | 150.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -74.5 | 128 | 151.8 | -74.4 | 173.4 | 178 | 168.9 | 0 | 106.9 | S25 | S25-K27 PolarHBondContact O-N 3.1Š| ||
| 28 | T | 52 | Low | 48.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -110.3 | 128.5 | 167.1 | -39.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 29 | D | 47.2 | Very low | 48.4 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -75.4 | 168.4 | -171.7 | -142.6 | -42.2 | 0 | 0 | 0 | 112.8 | S31 | D29-S31 PolarHBondContact O-N 3.04Š| ||
| 30 | Q | 44.3 | Very low | 48 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -76.4 | 120.2 | -177.3 | -57 | -174 | 97.2 | 0 | 0 | 111.4 | ||||
| 31 | S | 50.4 | Low | 47.8 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -164.6 | 156.3 | 153.9 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | D29 | D29-S31 PolarHBondContact O-N 3.04Š| ||
| 32 | S | 42 | Very low | 47.6 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 98.8 | 155.4 | -158.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 33 | S | 41.4 | Very low | 47.1 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | trans | 104.2 | 83.8 | 133 | -144.7 | 0 | 0 | 0 | 0 | 118.3 | Y35 | S33-Y35 PolarHBondContact O-N 3.18Å; S33-Y35 VanDerWaalsContact O-N 3.08Å; S33-Y35 WeakPolarHBondContact OG-CD2 3.45Å; S33-Y35 VanDerWaalsContact OG-CE2 3.29Å; S33-Y35 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 34 | F | 43 | Very low | 46.4 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 91% | 0.912 | 75% | 0.753 | S | S | * | * | trans | -68.3 | 90.2 | 157.9 | -68.5 | -92.3 | 0 | 0 | 0 | 110.7 | C36 | F34-C36 PolarHBondContact O-N 3.4Å; F34-C36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | Y | 45.2 | Very low | 45.7 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | trans | -81.1 | 71.1 | 157.4 | -84.2 | -75.5 | 0 | 0 | 0 | 110.4 | S33 Y37 | S33-Y35 PolarHBondContact O-N 3.18Å; S33-Y35 VanDerWaalsContact O-N 3.08Å; S33-Y35 WeakPolarHBondContact OG-CD2 3.45Å; S33-Y35 VanDerWaalsContact OG-CE2 3.29Å; S33-Y35 WeakPolarHBondContact OG-CE2 3.49Å; Y35-Y37 PolarHBondContact O-N 3.02Å | ||
| 36 | C | 42.3 | Very low | 45.4 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | trans | -67 | 111.3 | 153.6 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | F34 P38 | F34-C36 PolarHBondContact O-N 3.4Å; F34-C36 VanDerWaalsContact O-N 3.07Å; C36-P38 WeakPolarHBondContact O-CD 3.29Å | ||
| 37 | Y | 45.3 | Very low | 44.5 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | -80.3 | 113.8 | 170 | -101.7 | -88.9 | 0 | 0 | 0 | 109 | Y35 | Y35-Y37 PolarHBondContact O-N 3.02Š| ||
| 38 | P | 45.1 | Very low | 44.4 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | trans | -84.8 | -170.4 | 167.5 | 39.4 | -35.5 | 0 | 0 | 0 | 109.8 | C36 | C36-P38 WeakPolarHBondContact O-CD 3.29Š| ||
| 39 | C | 40.9 | Very low | 44.2 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | 98.8 | 72.8 | 157.5 | -146.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 40 | S | 43.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | -65.7 | 149.8 | 117.3 | -45 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 41 | P | 48.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | -152.3 | -144.6 | 63.1 | 43.6 | -19.2 | 0 | 0 | 0 | 113 | |||||
| 42 | P | 44.8 | Very low | 43.6 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | -118.1 | 170.7 | -120.9 | 34.5 | -13.8 | 0 | 0 | 0 | 114.6 | |||||
| 43 | F | 40.4 | Very low | 43.7 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 55% | 0.553 | 69% | 0.686 | S | S | * | * | trans | -149.5 | 146.4 | 161.5 | -164.2 | -93.6 | 0 | 0 | 0 | 114.4 | R328 M329 | F43-R328 VanDerWaalsContact CZ-NH1 3.35Å; F43-M329 HydrophobicContact CD1-CE 3.82Å; F43-M329 HydrophobicContact CD1-SD 3.74Å; F43-M329 HydrophobicContact CE1-CE 4.44Å; F43-M329 HydrophobicContact CE1-SD 3.78Å | ||
| 44 | A | 46.3 | Very low | 43.7 | Very low | 67 Ų | 67 | 126 Ų | 126 | 55% | 0.554 | 70% | 0.702 | S | S | * | * | trans | -143 | 153.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 45 | A | 38.5 | Very low | 43.6 | Very low | 57 Ų | 57 | 124.1 Ų | 124.1 | 47% | 0.471 | 70% | 0.696 | S | S | . | * | trans | 59.2 | 150.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 123 | Q330 | A45-Q330 VanDerWaalsContact CA-OE1 3.25Š| ||
| 46 | A | 43.4 | Very low | 43.3 | Very low | 59 Ų | 59 | 123 Ų | 123 | 49% | 0.488 | 70% | 0.701 | S | S | . | * | trans | 63.7 | 118.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | R328 | A46-R328 VanDerWaalsContact O-CB 3.31Å; A46-R328 WeakPolarHBondContact O-CB 3.49Å; A46-R328 WeakPolarHBondContact O-CD 3.48Å; A46-R328 WeakPolarHBondContact O-CG 3.43Å | ||
| 47 | D | 43.6 | Very low | 43.1 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | cis | 84.1 | 105.9 | 46.9 | -158.4 | 0.6 | 0 | 0 | 0 | 115.2 | R328 M329 | D47-R328 CarbonylContact C-O 3.6Å; D47-R328 VanDerWaalsContact C-O 3.25Å; D47-R328 WeakPolarHBondContact CA-O 3.44Å; D47-R328 PolarHBondContact N-O 3.06Å; D47-M329 WeakPolarHBondContact CA-O 3.4Å; D47-M329 PolarHBondContact N-O 3.32Å | ||
| 48 | A | 44.2 | Very low | 42.7 | Very low | 56 Ų | 56 | 117.8 Ų | 117.8 | 46% | 0.463 | 71% | 0.707 | S | S | . | * | trans | 170.4 | 107.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R328 | A48-R328 PolarHBondContact N-O 2.9Š| ||
| 49 | S | 46.9 | Very low | 42.4 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | 38.3 | 114.9 | 131.8 | -62.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 50 | F | 45.5 | Very low | 42 | Very low | 195 Ų | 195 | 116.9 Ų | 116.9 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | 63.3 | 170.9 | 115.4 | -64 | -57.3 | 0 | 0 | 0 | 122.6 | |||||
| 51 | P | 46.7 | Very low | 41.8 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | -139.5 | 166.3 | -51.8 | 40 | -24.7 | 0 | 0 | 0 | 114.6 | |||||
| 52 | L | 38.3 | Very low | 41.6 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -159.1 | 100 | 152.8 | -155.6 | 62.4 | 0 | 0 | 0 | 109.7 | ||||
| 53 | S | 44 | Very low | 41.3 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | 71.7 | 108.3 | 91.5 | -164.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 54 | Y | 40.5 | Very low | 41.3 | Very low | 230 Ų | 230 | 115.8 Ų | 115.8 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -107.5 | 128 | 157.3 | -80.9 | -95.2 | 0 | 0 | 0 | 108.4 | ||||
| 55 | Q | 42.1 | Very low | 41.3 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -145.4 | 128.8 | 157.1 | -71.5 | -150 | 86.3 | 0 | 0 | 106 | ||||
| 56 | I | 39.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 121 Ų | 121 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | 69.8 | 111.8 | 54.5 | -56.8 | 180 | 0 | 0 | 0 | 112.7 | |||||
| 57 | G | 38.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 153.9 | 95.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 58 | S | 36 | Very low | 41.8 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | cis | 92.5 | 90.8 | 38.5 | -161.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 59 | A | 38.6 | Very low | 41.7 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -178.2 | 118.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 60 | A | 33.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | cis | 79.1 | 98.8 | 48.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 61 | A | 39.3 | Very low | 41.6 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -170.6 | 139.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 62 | A | 43.4 | Very low | 41.4 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 35.1 | 121.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 63 | D | 38.5 | Very low | 41.6 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | cis | 58.2 | 95 | 40.7 | -161.4 | 30 | 0 | 0 | 0 | 115.4 | ||||
| 64 | A | 41.8 | Very low | 42 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -166.1 | 127.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 65 | T | 45.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -115.9 | 176.1 | -177.2 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | P | 52.1 | Low | 42.3 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -99.4 | -103.5 | -36.6 | 25.3 | -3.4 | 0 | 0 | 0 | 109.5 | ||||
| 67 | P | 47.6 | Very low | 42.4 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -100.3 | 174.6 | -9.3 | 25.1 | -5.1 | 0 | 0 | 0 | 115 | ||||
| 68 | Q | 35.6 | Very low | 42.8 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 150.6 | 167.4 | -77.2 | -97.5 | 7.7 | 0 | 0 | 110.6 | ||||
| 69 | A | 42.1 | Very low | 43.1 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -141.1 | 133.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 70 | V | 42.9 | Very low | 42.9 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -102 | 141.7 | -170.4 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 71 | I | 47.5 | Very low | 43.4 | Very low | 160 Ų | 160 | 128 Ų | 128 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | -174.9 | 104.3 | 150.4 | -90.4 | 140.1 | 0 | 0 | 0 | 105.8 | ||||
| 72 | N | 43.8 | Very low | 44.2 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 61.3 | 107.9 | 86.4 | -86.2 | -45.7 | 0 | 0 | 0 | 116 | |||||
| 73 | S | 41.6 | Very low | 44.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | -169.8 | 130.8 | 125.7 | -79.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 74 | P | 52.9 | Low | 44.7 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -99.9 | 175.6 | 175.1 | 38.4 | -32.2 | 0 | 0 | 0 | 112.6 | ||||
| 75 | D | 43.9 | Very low | 44.9 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 148.3 | 158.8 | 111.2 | -153.6 | 11 | 0 | 0 | 0 | 115.2 | |||||
| 76 | L | 44 | Very low | 44.6 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 80.1 | 116.4 | 162.9 | -55.3 | -175.4 | 0 | 0 | 0 | 121.5 | ||||
| 77 | P | 42 | Very low | 44.2 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -101 | 161.1 | 162.2 | 39 | -31.9 | 0 | 0 | 0 | 113.1 | ||||
| 78 | V | 46.8 | Very low | 44.3 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -139 | 105.3 | 177.2 | 161.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 79 | Q | 41.4 | Very low | 44.3 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | 44.6 | 131.6 | 80 | -68.7 | -171.9 | -11.7 | 0 | 0 | 113.2 | |||||
| 80 | A | 36.4 | Very low | 44.4 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | -168.6 | -171 | -12.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 81 | L | 42.7 | Very low | 44.1 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 90.1 | 115.3 | 144.5 | -138.8 | 68.8 | 0 | 0 | 0 | 120.3 | ||||
| 82 | M | 55.8 | Low | 44 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | 72.8 | 127.4 | 142.5 | -98.7 | 63.4 | 125.2 | 0 | 0 | 124.2 | ||||
| 83 | D | 45.5 | Very low | 43.7 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 62.4 | 145.2 | 137.9 | -72.4 | -40.1 | 0 | 0 | 0 | 120.4 | ||||
| 84 | H | 47.7 | Very low | 43.3 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -147.1 | 172.5 | 8.4 | -146.8 | -91.8 | 0 | 0 | 0 | 111.1 | ||||
| 85 | A | 45.7 | Very low | 42.6 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 161.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 86 | P | 39.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -93.6 | -179.1 | 170.3 | 39.1 | -35.9 | 0 | 0 | 0 | 113.9 | ||||
| 87 | A | 43.8 | Very low | 42 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 89 | 157.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 88 | P | 48.1 | Very low | 41.6 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -126.7 | 179.3 | 13.6 | 41.9 | -25.7 | 0 | 0 | 0 | 116.9 | ||||
| 89 | A | 35.9 | Very low | 41.3 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 154 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 90 | T | 43.8 | Very low | 40.9 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -114.6 | 110.9 | 162.3 | -50 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | E | 38.1 | Very low | 41 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 133.7 | 171.6 | -53.5 | -171.2 | 145.1 | 0 | 0 | 110.4 | ||||
| 92 | L | 45 | Very low | 40.7 | Very low | 170 Ų | 170 | 122.7 Ų | 122.7 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -149.2 | 110.1 | 155.3 | -82.1 | -172.3 | 0 | 0 | 0 | 112.1 | ||||
| 93 | G | 38 | Very low | 39.9 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 70.2 | 78.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 94 | A | 33.1 | Very low | 39.7 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -76 | 126.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | C | 37.2 | Very low | 39.4 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -118.7 | 111.1 | 162.6 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 96 | A | 35 | Very low | 40 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -98 | 117.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 97 | S | 40.5 | Very low | 40.6 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | trans | -173 | 119.1 | 165.1 | -76.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 98 | G | 33.5 | Very low | 41.1 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | cis | 113 | 75.9 | 39.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 99 | A | 40.1 | Very low | 41.3 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -159.5 | 100.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 100 | E | 33 | Very low | 42.3 | Very low | 207 Ų | 207 | 121.5 Ų | 121.5 | 97% | 0.967 | 81% | 0.808 | S | S | * | * | trans | -71.9 | 135 | 165.7 | -59.2 | -169.6 | 111.5 | 0 | 0 | 109.6 | ||||
| 101 | G | 38.3 | Very low | 42.9 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -172.5 | 82.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 102 | S | 36.5 | Very low | 43.8 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 16.6 | 100.7 | 151.8 | -164.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 103 | G | 38.7 | Very low | 44.6 | Very low | 77 Ų | 77 | 110.2 Ų | 110.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -133.2 | 43.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 104 | A | 41.3 | Very low | 45.9 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 131.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 105 | S | 42 | Very low | 47.7 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 74.8 | 155.9 | -176.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 106 | L | 58 | Low | 49.5 | Very low | 156 Ų | 156 | 116.8 Ų | 116.8 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | -120.2 | -15 | 155 | -73.1 | 178 | 0 | 0 | 0 | 115.1 | R108 | L106-R108 PolarHBondContact O-N 3.49Š| ||
| 107 | D | 52 | Low | 51.6 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -78.1 | -16.1 | -166.5 | -51.1 | -73.8 | 0 | 0 | 0 | 115.4 | A109 A110 | D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 3.34Å; D107-A110 PolarHBondContact O-N 3.16Å |
| 108 | R | 54.3 | Low | 53.7 | Low | 235 Ų | 235 | 120.2 Ų | 120.2 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -83.4 | -5 | -169.7 | -160 | 163.7 | -80.7 | 145.7 | -6.4 | 114.5 | L106 | L106-R108 PolarHBondContact O-N 3.49Š|
| 109 | A | 52.5 | Low | 56.5 | Low | 85 Ų | 85 | 117.6 Ų | 117.6 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -88.9 | -18.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D107 A111 | D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 3.34Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.12Å |
| 110 | A | 57.2 | Low | 59 | Low | 55 Ų | 55 | 115.2 Ų | 115.2 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -10.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D107 | D107-A110 PolarHBondContact O-N 3.16Š|
| 111 | A | 57.5 | Low | 61.9 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -36.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A109 A113 | A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.12Å; A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.34Å |
| 112 | A | 57 | Low | 64.5 | Low | 102 Ų | 102 | 111 Ų | 111 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -18.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 113 | A | 60.1 | Low | 67.3 | Low | 67 Ų | 67 | 107.8 Ų | 107.8 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A111 K115 R117 | A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.34Å; A113-K115 PolarHBondContact O-N 3.03Å; A113-R117 WeakPolarHBondContact O-CG 3.38Å |
| 114 | R | 65.7 | Low | 70 | Confident | 173 Ų | 173 | 109.7 Ų | 109.7 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -76.5 | -22.7 | -162.9 | -75 | -170.1 | 165.2 | -142.7 | -4.2 | 116.4 | ||
| 115 | K | 70.7 | Confident | 72.6 | Confident | 202 Ų | 202 | 109 Ų | 109 | 88% | 0.878 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -85.3 | -39.5 | -168.4 | -166.2 | 67.8 | 174.2 | -177 | 0 | 115.3 | A113 R117 | A113-K115 PolarHBondContact O-N 3.03Å; K115-R117 PolarHBondContact O-N 3.2Å |
| 116 | D | 74.9 | Confident | 75.1 | Confident | 78 Ų | 78 | 106.1 Ų | 106.1 | 42% | 0.417 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -85.7 | -3.2 | -172.2 | -170 | 37.6 | 0 | 0 | 0 | 114.3 | H118 S119 K120 | D116-H118 PolarHBondContact O-N 3.01Å; D116-H118 VanDerWaalsContact O-N 3.16Å; D116-S119 PolarHBondContact O-N 3.08Å; D116-S119 PolarHBondContact O-OG 2.88Å; D116-S119 WeakPolarHBondContact OD1-CB 3.49Å; D116-S119 PolarHBondContact OD1-OG 3.24Å; D116-K120 WeakPolarHBondContact O-CG 3.48Å; D116-K120 WeakPolarHBondContact OD2-CE 3.37Å; D116-K120 IonicContact OD2-NZ 2.68Å |
| 117 | R | 80.2 | Confident | 76.7 | Confident | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.585 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -63.1 | -26.6 | -175.9 | -61.4 | -176 | -60.3 | 157.9 | 6.9 | 113.4 | A113 K115 S119 K120 | A113-R117 WeakPolarHBondContact O-CG 3.38Å; K115-R117 PolarHBondContact O-N 3.2Å; R117-S119 VanDerWaalsContact C-N 3.27Å; R117-S119 PolarHBondContact O-N 3Å; R117-K120 PolarHBondContact O-N 3.43Å |
| 118 | H | 84.8 | Confident | 78.8 | Confident | 140 Ų | 140 | 105.1 Ų | 105.1 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -81.2 | 4.5 | 172.4 | -167.3 | 81.5 | 0 | 0 | 0 | 113.9 | D116 R130 | D116-H118 PolarHBondContact O-N 3.01Å; D116-H118 VanDerWaalsContact O-N 3.16Å; H118-R130 PolarHBondContact CE1-NH2 3.3Å; H118-R130 VanDerWaalsContact CE1-NH2 3.3Å; H118-R130 PolarHBondContact NE2-NH2 3.39Å; H118-R130 PolarHBondContact O-NH1 2.96Å; H118-R130 PolarHBondContact O-NH2 3.12Å |
| 119 | S | 90.9 | Very high | 80.7 | Confident | 27 Ų | 27 | 96.7 Ų | 96.7 | 19% | 0.189 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -99.6 | -17.4 | 165.4 | -34.8 | 0 | 0 | 0 | 0 | 112.4 | D116 R117 R130 | D116-S119 PolarHBondContact O-N 3.08Å; D116-S119 PolarHBondContact O-OG 2.88Å; D116-S119 WeakPolarHBondContact OD1-CB 3.49Å; D116-S119 PolarHBondContact OD1-OG 3.24Å; R117-S119 VanDerWaalsContact C-N 3.27Å; R117-S119 PolarHBondContact O-N 3Å; S119-R130 PolarHBondContact O-N 3.02Å |
| 120 | K | 93.4 | Very high | 82.7 | Confident | 52 Ų | 52 | 97.8 Ų | 97.8 | 23% | 0.226 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 166.5 | -164.1 | -54.4 | -56.2 | 176.3 | -175.5 | 0 | 112.7 | D116 R117 M127 R128 D129 R130 | D116-K120 WeakPolarHBondContact O-CG 3.48Å; D116-K120 WeakPolarHBondContact OD2-CE 3.37Å; D116-K120 IonicContact OD2-NZ 2.68Å; R117-K120 PolarHBondContact O-N 3.43Å; K120-M127 HydrophobicContact CB-CE 4.41Å; K120-M127 HydrophobicContact CG-CE 4.24Å; K120-R128 CarbonylContact C-O 3.6Å; K120-R128 WeakPolarHBondContact CA-O 3.1Å; K120-R128 WeakPolarHBondContact CB-O 3.46Å; K120-D129 HydrophobicContact CD-CB 4.42Å; K120-D129 IonicContact NZ-OD2 3.99Å; K120-D129 PolarHBondContact NZ-OD2 3.5Å; K120-R130 PolarHBondContact O-NH1 3.35Å |
| 121 | I | 93.7 | Very high | 84.5 | Confident | 73 Ų | 73 | 104.4 Ų | 104.4 | 37% | 0.374 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.1 | 166.7 | 36.7 | 169 | 0 | 0 | 0 | 108.2 | M127 R128 R130 | I121-M127 CarbonylContact O-C 3.25Å; I121-M127 WeakPolarHBondContact O-CA 3.4Å; I121-R128 HydrophobicContact CD1-CB 4.28Å; I121-R128 HydrophobicContact CD1-CG 4.37Å; I121-R128 HydrophobicContact CG1-CB 4.06Å; I121-R128 WeakPolarHBondContact CG1-O 3.42Å; I121-R128 PolarHBondContact N-O 2.78Å; I121-R128 PolarHBondContact O-N 3.47Å; I121-R130 HydrophobicContact CB-CG 4.34Å; I121-R130 HydrophobicContact CG1-CG 4.12Å; I121-R130 HydrophobicContact CG2-CG 3.72Å |
| 122 | C | 93.8 | Very high | 86.3 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 79% | 0.791 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.7 | 167.9 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 123 | T | 94.6 | Very high | 88.1 | Confident | 64 Ų | 64 | 114.9 Ų | 114.9 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 163.8 | 169.4 | -47.9 | 0 | 0 | 0 | 0 | 108.4 | G125 G126 R128 | T123-G125 PolarHBondContact O-N 3.12Å; T123-G125 VanDerWaalsContact O-N 3.13Å; T123-G126 PolarHBondContact N-O 2.83Å; T123-G126 PolarHBondContact O-N 3.27Å; T123-R128 PolarHBondContact OG1-NH1 2.92Å |
| 124 | A | 95.8 | Very high | 89.9 | Confident | 116 Ų | 116 | 115.4 Ų | 115.4 | 96% | 0.959 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -30.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G126 | A124-G126 VanDerWaalsContact C-N 3.28Å; A124-G126 PolarHBondContact O-N 3.35Å |
| 125 | G | 95.6 | Very high | 91.4 | Very high | 80 Ų | 80 | 110.3 Ų | 110.3 | 83% | 0.825 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 14.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T123 | T123-G125 PolarHBondContact O-N 3.12Å; T123-G125 VanDerWaalsContact O-N 3.13Å |
| 126 | G | 93.5 | Very high | 92.6 | Very high | 37 Ų | 37 | 106 Ų | 106 | 38% | 0.381 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 101.6 | -168.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T123 A124 | T123-G126 PolarHBondContact N-O 2.83Å; T123-G126 PolarHBondContact O-N 3.27Å; A124-G126 VanDerWaalsContact C-N 3.28Å; A124-G126 PolarHBondContact O-N 3.35Å |
| 127 | M | 93.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 107.2 Ų | 107.2 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.8 | -178.9 | -67.3 | 169.8 | 62 | 0 | 0 | 111.2 | K120 I121 | K120-M127 HydrophobicContact CB-CE 4.41Å; K120-M127 HydrophobicContact CG-CE 4.24Å; I121-M127 CarbonylContact O-C 3.25Å; I121-M127 WeakPolarHBondContact O-CA 3.4Å |
| 128 | R | 95 | Very high | 94.5 | Very high | 144 Ų | 144 | 103.3 Ų | 103.3 | 54% | 0.543 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 154.6 | 177.4 | 178.4 | -176.6 | -82.3 | 112.3 | -9.8 | 110.6 | K120 I121 T123 | K120-R128 CarbonylContact C-O 3.6Å; K120-R128 WeakPolarHBondContact CA-O 3.1Å; K120-R128 WeakPolarHBondContact CB-O 3.46Å; I121-R128 HydrophobicContact CD1-CB 4.28Å; I121-R128 HydrophobicContact CD1-CG 4.37Å; I121-R128 HydrophobicContact CG1-CB 4.06Å; I121-R128 WeakPolarHBondContact CG1-O 3.42Å; I121-R128 PolarHBondContact N-O 2.78Å; I121-R128 PolarHBondContact O-N 3.47Å; T123-R128 PolarHBondContact OG1-NH1 2.92Å |
| 129 | D | 94.7 | Very high | 95.1 | Very high | 58 Ų | 58 | 97.7 Ų | 97.7 | 31% | 0.31 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 147.3 | 172.1 | -152.6 | -72.7 | 0 | 0 | 0 | 112.1 | K120 R131 | K120-D129 HydrophobicContact CD-CB 4.42Å; K120-D129 IonicContact NZ-OD2 3.99Å; K120-D129 PolarHBondContact NZ-OD2 3.5Å; D129-R131 WeakPolarHBondContact OD1-CB 3.37Å; D129-R131 PolarHBondContact OD1-N 3.29Å |
| 130 | R | 94.5 | Very high | 95.4 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -83.5 | -12.2 | 175.4 | -62.4 | -156 | -54.5 | -98.5 | 9.5 | 113.8 | H118 S119 K120 I121 | H118-R130 PolarHBondContact CE1-NH2 3.3Å; H118-R130 VanDerWaalsContact CE1-NH2 3.3Å; H118-R130 PolarHBondContact NE2-NH2 3.39Å; H118-R130 PolarHBondContact O-NH1 2.96Å; H118-R130 PolarHBondContact O-NH2 3.12Å; S119-R130 PolarHBondContact O-N 3.02Å; K120-R130 PolarHBondContact O-NH1 3.35Å; I121-R130 HydrophobicContact CB-CG 4.34Å; I121-R130 HydrophobicContact CG1-CG 4.12Å; I121-R130 HydrophobicContact CG2-CG 3.72Å |
| 131 | R | 94.6 | Very high | 95.6 | Very high | 193 Ų | 193 | 110.3 Ų | 110.3 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | trans | -97.2 | 122.2 | -173.6 | -60 | 172 | 179.2 | 170.3 | -0.1 | 110.9 | D129 | D129-R131 WeakPolarHBondContact OD1-CB 3.37Å; D129-R131 PolarHBondContact OD1-N 3.29Å | ||
| 132 | M | 95.1 | Very high | 95.8 | Very high | 155 Ų | 155 | 108 Ų | 108 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | trans | -87.6 | 134.9 | 172.4 | -59.3 | -55.4 | -71.1 | 0 | 0 | 110.3 | L134 | M132-L134 HydrophobicContact CB-CD2 4.41Š| ||
| 133 | R | 96.5 | Very high | 95.9 | Very high | 242 Ų | 242 | 107.6 Ų | 107.6 | 91% | 0.913 | 55% | 0.546 | S | S | * | . | trans | -104.9 | 112.5 | 171.2 | -58.2 | -179.9 | 84.5 | 124.9 | 0.2 | 107.4 | ||||
| 134 | L | 96.6 | Very high | 96 | Very high | 79 Ų | 79 | 106.9 Ų | 106.9 | 41% | 0.414 | 55% | 0.547 | S | S | . | . | trans | -94 | 152.6 | -178 | -55.5 | 179.3 | 0 | 0 | 0 | 110.4 | M132 V138 A139 F142 | M132-L134 HydrophobicContact CB-CD2 4.41Å; L134-V138 HydrophobicContact CB-CG1 4.34Å; L134-V138 HydrophobicContact CD1-CG1 4.36Å; L134-V138 HydrophobicContact CD2-CG1 4.23Å; L134-A139 HydrophobicContact CB-CB 4.23Å; L134-F142 HydrophobicContact CD1-CB 4.18Å; L134-F142 HydrophobicContact CD1-CD1 4.17Å; L134-F142 HydrophobicContact CD1-CG 4.04Å | ||
| 135 | S | 97.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | trans | -69.4 | 160.6 | 166.9 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | D137 V138 A139 | S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact O-N 3.22Å; S135-V138 PolarHBondContact O-N 3.06Å; S135-V138 VanDerWaalsContact OG-CG2 3.3Å; S135-V138 WeakPolarHBondContact OG-CG2 3.36Å; S135-A139 VanDerWaalsContact O-CB 3.27Å; S135-A139 WeakPolarHBondContact O-CB 3.22Å; S135-A139 PolarHBondContact O-N 3.4Å | ||
| 136 | L | 96.6 | Very high | 96.1 | Very high | 110 Ų | 110 | 100.4 Ų | 100.4 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | -177.2 | -177.6 | 140.8 | 0 | 0 | 0 | 112.4 | R140 | L136-R140 WeakPolarHBondContact O-CG 3.38Å; L136-R140 PolarHBondContact O-N 3.05Å |
| 137 | D | 97.8 | Very high | 96.3 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.5 | -38.6 | -179.8 | -51.9 | -54 | 0 | 0 | 0 | 112.7 | S135 K141 | S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact O-N 3.22Å; D137-K141 PolarHBondContact O-N 2.87Å |
| 138 | V | 97.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 106 Ų | 106 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.4 | -41.4 | 176 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | L134 S135 R140 K141 F142 | L134-V138 HydrophobicContact CB-CG1 4.34Å; L134-V138 HydrophobicContact CD1-CG1 4.36Å; L134-V138 HydrophobicContact CD2-CG1 4.23Å; S135-V138 PolarHBondContact O-N 3.06Å; S135-V138 VanDerWaalsContact OG-CG2 3.3Å; S135-V138 WeakPolarHBondContact OG-CG2 3.36Å; V138-R140 PolarHBondContact O-N 3.05Å; V138-K141 PolarHBondContact O-N 3.34Å; V138-F142 WeakPolarHBondContact O-CB 3.21Å; V138-F142 PolarHBondContact O-N 2.75Å |
| 139 | A | 97.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 101.4 Ų | 101.4 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L134 S135 K141 F142 F143 | L134-A139 HydrophobicContact CB-CB 4.23Å; S135-A139 VanDerWaalsContact O-CB 3.27Å; S135-A139 WeakPolarHBondContact O-CB 3.22Å; S135-A139 PolarHBondContact O-N 3.4Å; A139-K141 PolarHBondContact O-N 2.83Å; A139-F142 PolarHBondContact O-N 3.45Å; A139-F143 HydrophobicContact CB-CD2 4.35Å; A139-F143 HydrophobicContact CB-CE2 4.23Å; A139-F143 WeakPolarHBondContact O-CD2 3.45Å; A139-F143 PolarHBondContact O-N 3.41Å |
| 140 | R | 97.3 | Very high | 96.6 | Very high | 179 Ų | 179 | 101.8 Ų | 101.8 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.1 | -49.3 | 176 | -77.6 | 175.7 | 173.2 | -173.1 | -1.6 | 112.3 | L136 V138 A144 | L136-R140 WeakPolarHBondContact O-CG 3.38Å; L136-R140 PolarHBondContact O-N 3.05Å; V138-R140 PolarHBondContact O-N 3.05Å; R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å |
| 141 | K | 96.9 | Very high | 96.7 | Very high | 166 Ų | 166 | 99.5 Ų | 99.5 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 178.6 | -66.7 | 175.4 | 178.1 | 179.2 | 0 | 112.1 | D137 V138 A139 L145 | D137-K141 PolarHBondContact O-N 2.87Å; V138-K141 PolarHBondContact O-N 3.34Å; A139-K141 PolarHBondContact O-N 2.83Å; K141-L145 WeakPolarHBondContact O-CB 3.14Å; K141-L145 PolarHBondContact O-N 3.06Å; K141-L145 VanDerWaalsContact O-N 3.08Å |
| 142 | F | 97.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 96.4 Ų | 96.4 | 11% | 0.11 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | -178.9 | 178.2 | -91.1 | 0 | 0 | 0 | 112.7 | L134 V138 A139 L145 Q146 A154 T157 V158 L161 | L134-F142 HydrophobicContact CD1-CB 4.18Å; L134-F142 HydrophobicContact CD1-CD1 4.17Å; L134-F142 HydrophobicContact CD1-CG 4.04Å; V138-F142 WeakPolarHBondContact O-CB 3.21Å; V138-F142 PolarHBondContact O-N 2.75Å; A139-F142 PolarHBondContact O-N 3.45Å; F142-L145 PolarHBondContact O-N 3.33Å; F142-Q146 PolarHBondContact O-N 3.46Å; F142-A154 HydrophobicContact CE1-CB 3.73Å; F142-A154 HydrophobicContact CZ-CB 3.86Å; F142-T157 HydrophobicContact CD2-CG2 4.32Å; F142-T157 HydrophobicContact CE2-CG2 3.73Å; F142-T157 HydrophobicContact CZ-CG2 3.93Å; F142-V158 HydrophobicContact CE2-CG2 3.75Å; F142-V158 HydrophobicContact CZ-CG2 3.92Å; F142-L161 HydrophobicContact CD2-CD1 4.28Å; F142-L161 HydrophobicContact CE2-CD1 4.2Å |
| 143 | F | 96.7 | Very high | 96.8 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 178.1 | -70.8 | -59.6 | 0 | 0 | 0 | 112 | A139 L145 Q146 D147 | A139-F143 HydrophobicContact CB-CD2 4.35Å; A139-F143 HydrophobicContact CB-CE2 4.23Å; A139-F143 WeakPolarHBondContact O-CD2 3.45Å; A139-F143 PolarHBondContact O-N 3.41Å; F143-L145 VanDerWaalsContact C-N 3.27Å; F143-L145 PolarHBondContact O-N 3.19Å; F143-Q146 WeakPolarHBondContact O-CA 3.5Å; F143-Q146 WeakPolarHBondContact O-CB 3.39Å; F143-Q146 PolarHBondContact O-N 3.49Å; F143-D147 VanDerWaalsContact O-CG 3.29Å; F143-D147 PolarHBondContact O-N 2.93Å |
| 144 | A | 96.8 | Very high | 96.7 | Very high | 49 Ų | 49 | 84.5 Ų | 84.5 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R140 D147 M148 | R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å; A144-D147 PolarHBondContact O-N 3.29Å; A144-M148 VanDerWaalsContact O-CG 3.29Å; A144-M148 WeakPolarHBondContact O-CG 3.34Å; A144-M148 PolarHBondContact O-N 3.17Å |
| 145 | L | 96.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 84.5 Ų | 84.5 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 172.7 | 177.1 | 65.5 | 0 | 0 | 0 | 112.5 | K141 F142 F143 D147 M148 L149 T157 W160 L161 | K141-L145 WeakPolarHBondContact O-CB 3.14Å; K141-L145 PolarHBondContact O-N 3.06Å; K141-L145 VanDerWaalsContact O-N 3.08Å; F142-L145 PolarHBondContact O-N 3.33Å; F143-L145 VanDerWaalsContact C-N 3.27Å; F143-L145 PolarHBondContact O-N 3.19Å; L145-D147 VanDerWaalsContact C-N 3.33Å; L145-M148 PolarHBondContact O-N 3.38Å; L145-L149 HydrophobicContact CD1-CD1 3.94Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.96Å; L145-T157 HydrophobicContact CD2-CG2 4.09Å; L145-T157 HydrophobicContact CG-CG2 4.16Å; L145-W160 HydrophobicContact CD1-CH2 4.31Å; L145-W160 HydrophobicContact CD1-CZ3 3.97Å; L145-W160 HydrophobicContact CD2-CE3 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 3.95Å; L145-W160 HydrophobicContact CG-CZ3 4.45Å; L145-L161 HydrophobicContact CD2-CD1 4.22Å; L145-L161 HydrophobicContact CD2-CD2 3.75Å; L145-L161 HydrophobicContact CD2-CG 4.05Å |
| 146 | Q | 96.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 87 Ų | 87 | 9% | 0.089 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.6 | 179.5 | 175.9 | -18.1 | 0 | 0 | 111.6 | F142 F143 L149 G150 F151 D152 T157 | F142-Q146 PolarHBondContact O-N 3.46Å; F143-Q146 WeakPolarHBondContact O-CA 3.5Å; F143-Q146 WeakPolarHBondContact O-CB 3.39Å; F143-Q146 PolarHBondContact O-N 3.49Å; Q146-L149 PolarHBondContact O-N 3.44Å; Q146-G150 PolarHBondContact O-N 3.29Å; Q146-G150 VanDerWaalsContact O-N 3.12Å; Q146-F151 HydrophobicContact CG-CB 4.28Å; Q146-F151 WeakPolarHBondContact CG-O 3.36Å; Q146-F151 PolarHBondContact NE2-O 3.29Å; Q146-F151 PolarHBondContact O-N 3.08Å; Q146-F151 VanDerWaalsContact O-N 3.16Å; Q146-D152 PolarHBondContact NE2-O 3.01Å; Q146-T157 HydrophobicContact CB-CG2 4.24Å; Q146-T157 WeakPolarHBondContact CG-OG1 3.24Å |
| 147 | D | 97.1 | Very high | 96.6 | Very high | 124 Ų | 124 | 81.7 Ų | 81.7 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 177.2 | -62.4 | -25.5 | 0 | 0 | 0 | 111 | F143 A144 L145 L149 G150 | F143-D147 VanDerWaalsContact O-CG 3.29Å; F143-D147 PolarHBondContact O-N 2.93Å; A144-D147 PolarHBondContact O-N 3.29Å; L145-D147 VanDerWaalsContact C-N 3.33Å; D147-L149 VanDerWaalsContact C-N 3.27Å; D147-L149 PolarHBondContact O-N 2.86Å; D147-G150 PolarHBondContact O-N 3.01Å |
| 148 | M | 97.1 | Very high | 96.5 | Very high | 161 Ų | 161 | 79.9 Ų | 79.9 | 79% | 0.793 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60 | -32.9 | 174.3 | -75.2 | 176.9 | 64.3 | 0 | 0 | 113.6 | A144 L145 | A144-M148 VanDerWaalsContact O-CG 3.29Å; A144-M148 WeakPolarHBondContact O-CG 3.34Å; A144-M148 PolarHBondContact O-N 3.17Å; L145-M148 PolarHBondContact O-N 3.38Å |
| 149 | L | 96.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 82.2 Ų | 82.2 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.3 | 177.1 | -66.9 | 170.3 | 0 | 0 | 0 | 113.1 | L145 Q146 D147 F151 T157 W160 | L145-L149 HydrophobicContact CD1-CD1 3.94Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.96Å; Q146-L149 PolarHBondContact O-N 3.44Å; D147-L149 VanDerWaalsContact C-N 3.27Å; D147-L149 PolarHBondContact O-N 2.86Å; L149-F151 VanDerWaalsContact C-N 3.25Å; L149-F151 HydrophobicContact CB-CD1 4.41Å; L149-F151 HydrophobicContact CB-CD2 3.73Å; L149-F151 HydrophobicContact CB-CE2 3.86Å; L149-F151 HydrophobicContact CB-CG 4.03Å; L149-F151 HydrophobicContact CB-CZ 4.26Å; L149-F151 HydrophobicContact CD1-CD2 4Å; L149-F151 HydrophobicContact CD1-CE2 3.79Å; L149-F151 HydrophobicContact CG-CD2 4.5Å; L149-F151 HydrophobicContact CG-CE2 4.33Å; L149-F151 WeakPolarHBondContact O-CD1 3.26Å; L149-F151 PolarHBondContact O-N 2.9Å; L149-T157 HydrophobicContact CD1-CG2 4.21Å; L149-W160 HydrophobicContact CD1-CB 4.48Å; L149-W160 HydrophobicContact CD1-CD2 3.73Å; L149-W160 HydrophobicContact CD1-CE3 3.76Å; L149-W160 HydrophobicContact CD1-CG 4.05Å; L149-W160 HydrophobicContact CD1-CZ3 4.32Å; L149-W160 HydrophobicContact CD2-CD2 4.25Å; L149-W160 HydrophobicContact CD2-CZ2 4.22Å |
| 150 | G | 96.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 85.8 Ų | 85.8 | 67% | 0.67 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 25.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q146 D147 | Q146-G150 PolarHBondContact O-N 3.29Å; Q146-G150 VanDerWaalsContact O-N 3.12Å; D147-G150 PolarHBondContact O-N 3.01Å |
| 151 | F | 95.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 80.5 Ų | 80.5 | 26% | 0.263 | 42% | 0.423 | S | S | . | . | trans | -90.5 | 114.8 | -175.6 | -69 | -22.1 | 0 | 0 | 0 | 112.5 | Q146 L149 K153 K156 W160 | Q146-F151 HydrophobicContact CG-CB 4.28Å; Q146-F151 WeakPolarHBondContact CG-O 3.36Å; Q146-F151 PolarHBondContact NE2-O 3.29Å; Q146-F151 PolarHBondContact O-N 3.08Å; Q146-F151 VanDerWaalsContact O-N 3.16Å; L149-F151 VanDerWaalsContact C-N 3.25Å; L149-F151 HydrophobicContact CB-CD1 4.41Å; L149-F151 HydrophobicContact CB-CD2 3.73Å; L149-F151 HydrophobicContact CB-CE2 3.86Å; L149-F151 HydrophobicContact CB-CG 4.03Å; L149-F151 HydrophobicContact CB-CZ 4.26Å; L149-F151 HydrophobicContact CD1-CD2 4Å; L149-F151 HydrophobicContact CD1-CE2 3.79Å; L149-F151 HydrophobicContact CG-CD2 4.5Å; L149-F151 HydrophobicContact CG-CE2 4.33Å; L149-F151 WeakPolarHBondContact O-CD1 3.26Å; L149-F151 PolarHBondContact O-N 2.9Å; F151-K153 PolarHBondContact O-N 3.42Å; F151-K156 HydrophobicContact CB-CB 4.27Å; F151-K156 HydrophobicContact CD1-CB 4.39Å; F151-K156 HydrophobicContact CD1-CD 4.42Å; F151-K156 HydrophobicContact CD2-CB 3.74Å; F151-K156 HydrophobicContact CE2-CB 4.11Å; F151-K156 HydrophobicContact CG-CB 3.89Å; F151-W160 HydrophobicContact CE2-CB 3.92Å; F151-W160 HydrophobicContact CE2-CG 4.33Å | ||
| 152 | D | 95.7 | Very high | 96.5 | Very high | 128 Ų | 128 | 77.5 Ų | 77.5 | 68% | 0.684 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -56.7 | -32.7 | 171.5 | 168.6 | 69.6 | 0 | 0 | 0 | 113.7 | Q146 | Q146-D152 PolarHBondContact NE2-O 3.01Š|
| 153 | K | 95.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 79.9 Ų | 79.9 | 47% | 0.474 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -117.4 | 119.9 | -175.9 | -51.5 | -160.1 | -169.8 | -50.4 | 0 | 112.1 | F151 S155 K156 | F151-K153 PolarHBondContact O-N 3.42Å; K153-S155 PolarHBondContact O-N 2.95Å; K153-K156 WeakPolarHBondContact O-CB 3.28Å; K153-K156 PolarHBondContact O-N 3.39Å |
| 154 | A | 94.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 78.8 Ų | 78.8 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -50 | -29.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F142 K156 T157 V158 | F142-A154 HydrophobicContact CE1-CB 3.73Å; F142-A154 HydrophobicContact CZ-CB 3.86Å; A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 PolarHBondContact O-N 3.25Å; A154-T157 WeakPolarHBondContact O-CB 3.45Å; A154-T157 PolarHBondContact O-N 3.44Å; A154-V158 WeakPolarHBondContact O-CG2 3.3Å; A154-V158 PolarHBondContact O-N 3.32Å |
| 155 | S | 94.5 | Very high | 96.4 | Very high | 79 Ų | 79 | 78.5 Ų | 78.5 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.5 | -34 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 113 | K153 V158 Q159 | K153-S155 PolarHBondContact O-N 2.95Å; S155-V158 PolarHBondContact O-N 2.89Å; S155-Q159 WeakPolarHBondContact O-CB 3.47Å; S155-Q159 PolarHBondContact O-N 3.25Å |
| 156 | K | 96.7 | Very high | 96.3 | Very high | 118 Ų | 118 | 81.8 Ų | 81.8 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 173.7 | -64.2 | -171.8 | 176 | -174.5 | 0 | 111.2 | F151 K153 A154 V158 Q159 W160 | F151-K156 HydrophobicContact CB-CB 4.27Å; F151-K156 HydrophobicContact CD1-CB 4.39Å; F151-K156 HydrophobicContact CD1-CD 4.42Å; F151-K156 HydrophobicContact CD2-CB 3.74Å; F151-K156 HydrophobicContact CE2-CB 4.11Å; F151-K156 HydrophobicContact CG-CB 3.89Å; K153-K156 WeakPolarHBondContact O-CB 3.28Å; K153-K156 PolarHBondContact O-N 3.39Å; A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 PolarHBondContact O-N 3.25Å; K156-V158 PolarHBondContact O-N 2.98Å; K156-Q159 PolarHBondContact O-N 2.86Å; K156-W160 WeakPolarHBondContact O-CB 3.43Å; K156-W160 PolarHBondContact O-N 3.31Å |
| 157 | T | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 174.2 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | F142 L145 Q146 L149 A154 W160 L161 | F142-T157 HydrophobicContact CD2-CG2 4.32Å; F142-T157 HydrophobicContact CE2-CG2 3.73Å; F142-T157 HydrophobicContact CZ-CG2 3.93Å; L145-T157 HydrophobicContact CD2-CG2 4.09Å; L145-T157 HydrophobicContact CG-CG2 4.16Å; Q146-T157 HydrophobicContact CB-CG2 4.24Å; Q146-T157 WeakPolarHBondContact CG-OG1 3.24Å; L149-T157 HydrophobicContact CD1-CG2 4.21Å; A154-T157 WeakPolarHBondContact O-CB 3.45Å; A154-T157 PolarHBondContact O-N 3.44Å; T157-W160 PolarHBondContact O-N 2.83Å; T157-L161 WeakPolarHBondContact O-CG 3.44Å; T157-L161 PolarHBondContact O-N 2.96Å |
| 158 | V | 97 | Very high | 96.1 | Very high | 65 Ų | 65 | 80.2 Ų | 80.2 | 39% | 0.394 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | F142 A154 S155 K156 W160 L161 L162 | F142-V158 HydrophobicContact CE2-CG2 3.75Å; F142-V158 HydrophobicContact CZ-CG2 3.92Å; A154-V158 WeakPolarHBondContact O-CG2 3.3Å; A154-V158 PolarHBondContact O-N 3.32Å; S155-V158 PolarHBondContact O-N 2.89Å; K156-V158 PolarHBondContact O-N 2.98Å; V158-W160 VanDerWaalsContact C-N 3.32Å; V158-W160 PolarHBondContact O-N 3.27Å; V158-L161 PolarHBondContact O-N 3.3Å; V158-L162 HydrophobicContact CG1-CD1 4.13Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 3.5Å |
| 159 | Q | 96.6 | Very high | 96 | Very high | 124 Ų | 124 | 76 Ų | 76 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 175 | -179.8 | 178.9 | -14.7 | 0 | 0 | 112 | S155 K156 N163 | S155-Q159 WeakPolarHBondContact O-CB 3.47Å; S155-Q159 PolarHBondContact O-N 3.25Å; K156-Q159 PolarHBondContact O-N 2.86Å; Q159-N163 WeakPolarHBondContact O-CB 3.22Å; Q159-N163 VanDerWaalsContact O-CG 3.25Å; Q159-N163 PolarHBondContact O-N 3.01Å; Q159-N163 PolarHBondContact O-ND2 2.94Å |
| 160 | W | 97.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 80.2 Ų | 80.2 | 36% | 0.36 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 174.2 | 179.4 | 90.5 | 0 | 0 | 0 | 111.4 | L145 L149 F151 K156 T157 V158 L162 N163 T164 | L145-W160 HydrophobicContact CD1-CH2 4.31Å; L145-W160 HydrophobicContact CD1-CZ3 3.97Å; L145-W160 HydrophobicContact CD2-CE3 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 3.95Å; L145-W160 HydrophobicContact CG-CZ3 4.45Å; L149-W160 HydrophobicContact CD1-CB 4.48Å; L149-W160 HydrophobicContact CD1-CD2 3.73Å; L149-W160 HydrophobicContact CD1-CE3 3.76Å; L149-W160 HydrophobicContact CD1-CG 4.05Å; L149-W160 HydrophobicContact CD1-CZ3 4.32Å; L149-W160 HydrophobicContact CD2-CD2 4.25Å; L149-W160 HydrophobicContact CD2-CZ2 4.22Å; F151-W160 HydrophobicContact CE2-CB 3.92Å; F151-W160 HydrophobicContact CE2-CG 4.33Å; K156-W160 WeakPolarHBondContact O-CB 3.43Å; K156-W160 PolarHBondContact O-N 3.31Å; T157-W160 PolarHBondContact O-N 2.83Å; V158-W160 VanDerWaalsContact C-N 3.32Å; V158-W160 PolarHBondContact O-N 3.27Å; W160-L162 PolarHBondContact O-N 2.84Å; W160-N163 PolarHBondContact O-N 3.35Å; W160-T164 HydrophobicContact CH2-CG2 4.38Å; W160-T164 HydrophobicContact CZ2-CG2 4.43Å; W160-T164 PolarHBondContact O-N 3.25Å; W160-T164 PolarHBondContact O-OG1 2.97Å; W160-T164 VanDerWaalsContact O-OG1 3.12Å |
| 161 | L | 97.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 82.8 Ų | 82.8 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.2 | -51.2 | 175.7 | -78.5 | 167.4 | 0 | 0 | 0 | 111.6 | F142 L145 T157 V158 N163 T164 S165 | F142-L161 HydrophobicContact CD2-CD1 4.28Å; F142-L161 HydrophobicContact CE2-CD1 4.2Å; L145-L161 HydrophobicContact CD2-CD1 4.22Å; L145-L161 HydrophobicContact CD2-CD2 3.75Å; L145-L161 HydrophobicContact CD2-CG 4.05Å; T157-L161 WeakPolarHBondContact O-CG 3.44Å; T157-L161 PolarHBondContact O-N 2.96Å; V158-L161 PolarHBondContact O-N 3.3Å; L161-N163 PolarHBondContact O-N 2.74Å; L161-T164 PolarHBondContact O-N 3.44Å; L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 3.05Å; L161-S165 PolarHBondContact O-OG 3.27Å; L161-S165 VanDerWaalsContact O-OG 3.08Å |
| 162 | L | 96.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 84.8 Ų | 84.8 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -23.7 | 178.7 | -69.2 | 173.1 | 0 | 0 | 0 | 113.8 | V158 W160 K166 | V158-L162 HydrophobicContact CG1-CD1 4.13Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 3.5Å; W160-L162 PolarHBondContact O-N 2.84Å; L162-K166 WeakPolarHBondContact O-CG 3.3Å |
| 163 | N | 96.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 84.9 Ų | 84.9 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -81 | -42.5 | 174.5 | -80.1 | -29.3 | 0 | 0 | 0 | 112 | Q159 W160 L161 K166 | Q159-N163 WeakPolarHBondContact O-CB 3.22Å; Q159-N163 VanDerWaalsContact O-CG 3.25Å; Q159-N163 PolarHBondContact O-N 3.01Å; Q159-N163 PolarHBondContact O-ND2 2.94Å; W160-N163 PolarHBondContact O-N 3.35Å; L161-N163 PolarHBondContact O-N 2.74Å; N163-K166 WeakPolarHBondContact O-CG 3.39Å; N163-K166 WeakPolarHBondContact OD1-CE 3.39Å; N163-K166 PolarHBondContact OD1-NZ 2.89Å |
| 164 | T | 95.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 82.5 Ų | 82.5 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 179 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | W160 L161 K166 | W160-T164 HydrophobicContact CH2-CG2 4.38Å; W160-T164 HydrophobicContact CZ2-CG2 4.43Å; W160-T164 PolarHBondContact O-N 3.25Å; W160-T164 PolarHBondContact O-OG1 2.97Å; W160-T164 VanDerWaalsContact O-OG1 3.12Å; L161-T164 PolarHBondContact O-N 3.44Å; T164-K166 VanDerWaalsContact C-N 3.28Å; T164-K166 PolarHBondContact O-N 3.36Å |
| 165 | S | 96.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 85.4 Ų | 85.4 | 30% | 0.301 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 12.3 | 179.9 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | L161 S167 A168 I169 | L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 3.05Å; L161-S165 PolarHBondContact O-OG 3.27Å; L161-S165 VanDerWaalsContact O-OG 3.08Å; S165-S167 PolarHBondContact O-N 2.98Å; S165-A168 PolarHBondContact O-N 3.26Å; S165-I169 WeakPolarHBondContact O-CB 3.45Å; S165-I169 VanDerWaalsContact O-CG1 3.26Å; S165-I169 WeakPolarHBondContact O-CG1 3.45Å; S165-I169 PolarHBondContact O-N 3.14Å; S165-I169 VanDerWaalsContact OG-CD1 3.28Å; S165-I169 WeakPolarHBondContact OG-CD1 3.48Å |
| 166 | K | 95.8 | Very high | 93.4 | Very high | 111 Ų | 111 | 87.6 Ų | 87.6 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | -177 | -80.1 | 177.1 | -179.7 | 157.9 | 0 | 113.2 | L162 N163 T164 I169 Q170 | L162-K166 WeakPolarHBondContact O-CG 3.3Å; N163-K166 WeakPolarHBondContact O-CG 3.39Å; N163-K166 WeakPolarHBondContact OD1-CE 3.39Å; N163-K166 PolarHBondContact OD1-NZ 2.89Å; T164-K166 VanDerWaalsContact C-N 3.28Å; T164-K166 PolarHBondContact O-N 3.36Å; K166-I169 PolarHBondContact O-N 3.42Å; K166-Q170 WeakPolarHBondContact O-CB 3.46Å; K166-Q170 VanDerWaalsContact O-CG 3.3Å; K166-Q170 WeakPolarHBondContact O-CG 3.35Å; K166-Q170 PolarHBondContact O-N 3.43Å |
| 167 | S | 93.4 | Very high | 91.8 | Very high | 67 Ų | 67 | 85.8 Ų | 85.8 | 47% | 0.469 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 177.7 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | S165 I169 Q170 E171 | S165-S167 PolarHBondContact O-N 2.98Å; S167-I169 VanDerWaalsContact C-N 3.26Å; S167-I169 PolarHBondContact O-N 3.01Å; S167-Q170 CarbonylContact O-C 3.5Å; S167-Q170 WeakPolarHBondContact O-CA 2.84Å; S167-Q170 WeakPolarHBondContact O-CB 3.47Å; S167-Q170 PolarHBondContact O-N 3.39Å; S167-E171 WeakPolarHBondContact O-CG 3.48Å; S167-E171 PolarHBondContact O-N 3.03Å |
| 168 | A | 95.4 | Very high | 90 | Very high | 42 Ų | 42 | 90 Ų | 90 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S165 I172 | S165-A168 PolarHBondContact O-N 3.26Å; A168-I172 WeakPolarHBondContact O-CD1 3.16Å; A168-I172 VanDerWaalsContact O-CG1 3.28Å; A168-I172 WeakPolarHBondContact O-CG1 3.39Å; A168-I172 PolarHBondContact O-N 2.88Å |
| 169 | I | 94.6 | Very high | 88.1 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 172.7 | -68.7 | 166.3 | 0 | 0 | 0 | 110.9 | S165 K166 S167 M173 | S165-I169 WeakPolarHBondContact O-CB 3.45Å; S165-I169 VanDerWaalsContact O-CG1 3.26Å; S165-I169 WeakPolarHBondContact O-CG1 3.45Å; S165-I169 PolarHBondContact O-N 3.14Å; S165-I169 VanDerWaalsContact OG-CD1 3.28Å; S165-I169 WeakPolarHBondContact OG-CD1 3.48Å; K166-I169 PolarHBondContact O-N 3.42Å; S167-I169 VanDerWaalsContact C-N 3.26Å; S167-I169 PolarHBondContact O-N 3.01Å; I169-M173 HydrophobicContact CG2-CG 4.42Å; I169-M173 HydrophobicContact CG2-SD 3.83Å; I169-M173 WeakPolarHBondContact O-CB 3.18Å; I169-M173 VanDerWaalsContact O-CG 3.22Å; I169-M173 WeakPolarHBondContact O-CG 3.03Å; I169-M173 PolarHBondContact O-N 2.96Å |
| 170 | Q | 94.5 | Very high | 85.9 | Confident | 138 Ų | 138 | 94 Ų | 94 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 178.5 | -76.7 | 174.4 | -24.8 | 0 | 0 | 112.8 | K166 S167 M173 A174 | K166-Q170 WeakPolarHBondContact O-CB 3.46Å; K166-Q170 VanDerWaalsContact O-CG 3.3Å; K166-Q170 WeakPolarHBondContact O-CG 3.35Å; K166-Q170 PolarHBondContact O-N 3.43Å; S167-Q170 CarbonylContact O-C 3.5Å; S167-Q170 WeakPolarHBondContact O-CA 2.84Å; S167-Q170 WeakPolarHBondContact O-CB 3.47Å; S167-Q170 PolarHBondContact O-N 3.39Å; Q170-M173 PolarHBondContact O-N 3.14Å; Q170-A174 WeakPolarHBondContact O-CB 3.44Å; Q170-A174 PolarHBondContact O-N 2.96Å |
| 171 | E | 93.8 | Very high | 83.3 | Confident | 120 Ų | 120 | 95 Ų | 95 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.7 | -56.4 | 174.6 | -73.3 | 161.2 | -164.8 | 0 | 0 | 110.2 | S167 M173 A174 D175 | S167-E171 WeakPolarHBondContact O-CG 3.48Å; S167-E171 PolarHBondContact O-N 3.03Å; E171-M173 VanDerWaalsContact C-N 3.3Å; E171-M173 PolarHBondContact O-N 2.95Å; E171-A174 WeakPolarHBondContact O-CB 3.2Å; E171-A174 PolarHBondContact O-N 2.98Å; E171-D175 PolarHBondContact O-N 2.68Å |
| 172 | I | 92.2 | Very high | 81.3 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.1 | -42.8 | 178.2 | -63.2 | 164.9 | 0 | 0 | 0 | 111.6 | A168 A174 D175 D176 | A168-I172 WeakPolarHBondContact O-CD1 3.16Å; A168-I172 VanDerWaalsContact O-CG1 3.28Å; A168-I172 WeakPolarHBondContact O-CG1 3.39Å; A168-I172 PolarHBondContact O-N 2.88Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 2.94Å; I172-D175 PolarHBondContact O-N 3.47Å; I172-D176 WeakPolarHBondContact O-CB 3.4Å; I172-D176 PolarHBondContact O-N 2.85Å |
| 173 | M | 92.5 | Very high | 79.1 | Confident | 130 Ų | 130 | 102.4 Ų | 102.4 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.7 | -23.3 | 178 | -73.8 | -179.6 | 67.2 | 0 | 0 | 114.1 | I169 Q170 E171 | I169-M173 HydrophobicContact CG2-CG 4.42Å; I169-M173 HydrophobicContact CG2-SD 3.83Å; I169-M173 WeakPolarHBondContact O-CB 3.18Å; I169-M173 VanDerWaalsContact O-CG 3.22Å; I169-M173 WeakPolarHBondContact O-CG 3.03Å; I169-M173 PolarHBondContact O-N 2.96Å; Q170-M173 PolarHBondContact O-N 3.14Å; E171-M173 VanDerWaalsContact C-N 3.3Å; E171-M173 PolarHBondContact O-N 2.95Å |
| 174 | A | 89.1 | Confident | 76.9 | Confident | 59 Ų | 59 | 106.8 Ų | 106.8 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -82.4 | -40.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q170 E171 I172 A177 S178 | Q170-A174 WeakPolarHBondContact O-CB 3.44Å; Q170-A174 PolarHBondContact O-N 2.96Å; E171-A174 WeakPolarHBondContact O-CB 3.2Å; E171-A174 PolarHBondContact O-N 2.98Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 2.94Å; A174-A177 PolarHBondContact O-N 3.48Å; A174-A177 VanDerWaalsContact O-N 3.14Å; A174-S178 PolarHBondContact O-N 3.45Å |
| 175 | D | 82.3 | Confident | 74.9 | Confident | 100 Ų | 100 | 105.5 Ų | 105.5 | 54% | 0.535 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.4 | -48 | 176.4 | -64.9 | -30.1 | 0 | 0 | 0 | 110.9 | E171 I172 A177 S178 S179 | E171-D175 PolarHBondContact O-N 2.68Å; I172-D175 PolarHBondContact O-N 3.47Å; D175-A177 PolarHBondContact O-N 2.64Å; D175-A177 VanDerWaalsContact O-N 3.14Å; D175-S178 PolarHBondContact O-N 3.42Å; D175-S178 PolarHBondContact O-OG 3.16Å; D175-S179 WeakPolarHBondContact O-CB 3.18Å; D175-S179 PolarHBondContact O-N 3.46Å |
| 176 | D | 71 | Confident | 72.8 | Confident | 124 Ų | 124 | 109 Ų | 109 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.1 | -25.1 | 174.9 | -79.3 | -30 | 0 | 0 | 0 | 113.3 | I172 | I172-D176 WeakPolarHBondContact O-CB 3.4Å; I172-D176 PolarHBondContact O-N 2.85Å |
| 177 | A | 63.5 | Low | 70.5 | Confident | 81 Ų | 81 | 109 Ų | 109 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.8 | -11.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A174 D175 | A174-A177 PolarHBondContact O-N 3.48Å; A174-A177 VanDerWaalsContact O-N 3.14Å; D175-A177 PolarHBondContact O-N 2.64Å; D175-A177 VanDerWaalsContact O-N 3.14Å |
| 178 | S | 59.3 | Low | 68.7 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -106.3 | -17.9 | 176.3 | 72.2 | 0 | 0 | 0 | 0 | 113.5 | A174 D175 E180 | A174-S178 PolarHBondContact O-N 3.45Å; D175-S178 PolarHBondContact O-N 3.42Å; D175-S178 PolarHBondContact O-OG 3.16Å; S178-E180 PolarHBondContact O-N 2.87Å |
| 179 | S | 56.8 | Low | 66.3 | Low | 98 Ų | 98 | 117.2 Ų | 117.2 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | trans | -79.9 | 55.7 | -179 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | D175 | D175-S179 WeakPolarHBondContact O-CB 3.18Å; D175-S179 PolarHBondContact O-N 3.46Å | ||
| 180 | E | 49.6 | Very low | 64.4 | Low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -79.5 | 136.5 | 159.1 | 22 | -174.8 | 83.7 | 0 | 0 | 110.2 | S178 V182 | S178-E180 PolarHBondContact O-N 2.87Å; E180-V182 PolarHBondContact O-N 2.9Å | ||
| 181 | C | 43.1 | Very low | 62.4 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | trans | -64.4 | 125.8 | -160.9 | 51.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 182 | V | 55.7 | Low | 60.3 | Low | 141 Ų | 141 | 121.1 Ų | 121.1 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -113.1 | 87.3 | 159.7 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | E180 D184 | E180-V182 PolarHBondContact O-N 2.9Å; V182-D184 PolarHBondContact O-N 3.25Å | ||
| 183 | E | 49.5 | Very low | 58.3 | Low | 187 Ų | 187 | 119.5 Ų | 119.5 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -83.2 | 79.3 | 165.3 | -68.6 | -79.2 | 152.8 | 0 | 0 | 109.5 | ||||
| 184 | D | 50.6 | Low | 56 | Low | 167 Ų | 167 | 123.1 Ų | 123.1 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | trans | -160.4 | 160.6 | 146.2 | -142.8 | -21.1 | 0 | 0 | 0 | 111.8 | V182 | V182-D184 PolarHBondContact O-N 3.25Š| ||
| 185 | G | 53.3 | Low | 54 | Low | 57 Ų | 57 | 129 Ų | 129 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | -87.2 | 170.3 | -160.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 186 | S | 52.1 | Low | 52.2 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 63.8 | 104.1 | 153.4 | -67 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 187 | S | 48.7 | Very low | 51.3 | Low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | 99.2 | 137.3 | 125.4 | 79.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 188 | S | 55.1 | Low | 50.2 | Low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 69.8 | 82.6 | 147.1 | -59.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 189 | L | 45.3 | Very low | 49.4 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | 30.9 | 105.9 | 113 | -53.2 | 173.9 | 0 | 0 | 0 | 117.1 | |||||
| 190 | S | 54.5 | Low | 48.7 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -154 | 160.3 | 146.1 | -153.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 191 | V | 52.6 | Low | 48.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -124.4 | 157.9 | -156.2 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 192 | D | 50.4 | Low | 47.9 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 78.2 | 148.3 | 164.6 | -104.1 | -59.9 | 0 | 0 | 0 | 119.1 | ||||
| 193 | G | 50.1 | Low | 47 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 147.3 | 15.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 194 | K | 44.2 | Very low | 46.5 | Very low | 205 Ų | 205 | 126.7 Ų | 126.7 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 18.9 | 109 | 147.7 | -177 | 178.1 | -177.5 | 173.1 | 0 | 119.7 | ||||
| 195 | H | 46.6 | Very low | 46.3 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 168.1 | 144.9 | 132.5 | -174 | -98.1 | 0 | 0 | 0 | 113.6 | ||||
| 196 | N | 44.9 | Very low | 45.7 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 160.4 | 174.5 | -162.7 | 31.8 | 0 | 0 | 0 | 105.3 | ||||
| 197 | P | 50.9 | Low | 45.8 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | cis | -140.1 | -175.2 | 10.3 | 34.5 | -11.1 | 0 | 0 | 0 | 117.6 | ||||
| 198 | A | 40.5 | Very low | 45.9 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 110.8 | 147.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 199 | E | 43.6 | Very low | 45.6 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 72.5 | 139.6 | 170.7 | -51.6 | -167.8 | 169.7 | 0 | 0 | 114.6 | ||||
| 200 | Q | 41.2 | Very low | 45.4 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -175.6 | 148 | -2 | 150.3 | -178.7 | 106.2 | 0 | 0 | 108.7 | ||||
| 201 | L | 41.8 | Very low | 45.1 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | 66.6 | 148.1 | 177.1 | -54.5 | 149.5 | 0 | 0 | 0 | 115.6 | ||||
| 202 | G | 35.2 | Very low | 44.1 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | 168.5 | 149.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 203 | G | 36.1 | Very low | 43.5 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | 94.5 | 89.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 204 | G | 39.8 | Very low | 42.9 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -114.4 | 113.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | G | 45.1 | Very low | 42.9 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 137.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q207 | G205-Q207 PolarHBondContact O-N 2.85Š| ||
| 206 | D | 41.8 | Very low | 42.5 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 122 | 178 | -166.6 | -64.9 | 0 | 0 | 0 | 111.6 | ||||
| 207 | Q | 53.9 | Low | 42.7 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -133 | 102.1 | 170.8 | -74.8 | -156.3 | 91.4 | 0 | 0 | 113 | G205 | G205-Q207 PolarHBondContact O-N 2.85Š| ||
| 208 | K | 49.4 | Very low | 42.2 | Very low | 170 Ų | 170 | 133 Ų | 133 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 120.3 | 173.3 | 171.1 | -174.4 | -175.9 | 168.2 | 0 | 111.8 | K210 | K208-K210 PolarHBondContact O-N 3.13Š| ||
| 209 | P | 49 | Very low | 42.8 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -82.7 | 109.3 | 169.7 | 30.9 | -30.7 | 0 | 0 | 0 | 110.9 | ||||
| 210 | K | 42.3 | Very low | 42.8 | Very low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -104.3 | 93.6 | 170 | -173.6 | -178.2 | 178.7 | -176.7 | 0 | 110 | K208 | K208-K210 PolarHBondContact O-N 3.13Š| ||
| 211 | G | 47.1 | Very low | 42.7 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 130.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 212 | N | 32.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | -152.9 | 172.3 | 168.8 | -175.7 | 53.2 | 0 | 0 | 0 | 109.2 | ||||
| 213 | C | 37.8 | Very low | 43 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | trans | 87.1 | 99.3 | -177.2 | -54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 214 | R | 37.6 | Very low | 43.5 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | 53 | 106.1 | 79 | -81.9 | -168.9 | 169.2 | -125.3 | 6.2 | 113.8 | E216 | R214-E216 IonicContact CZ-OE2 3.28Å; R214-E216 IonicContact NH1-OE2 2.79Å; R214-E216 PolarHBondContact NH1-OE2 3.45Å | |||
| 215 | G | 43.5 | Very low | 43.5 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -130.2 | 107.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 216 | E | 38.7 | Very low | 43.2 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -89.9 | 109.4 | 175.5 | -75.3 | 180 | 68.3 | 0 | 0 | 110.5 | R214 | R214-E216 IonicContact CZ-OE2 3.28Å; R214-E216 IonicContact NH1-OE2 2.79Å; R214-E216 PolarHBondContact NH1-OE2 3.45Å | ||
| 217 | G | 48.4 | Very low | 43.3 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -99 | 93.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 218 | K | 41.4 | Very low | 42.9 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 135.6 | 171.4 | -110.9 | 173.1 | 178.4 | 168.8 | 0 | 111.4 | ||||
| 219 | K | 52.4 | Low | 43.2 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -173.6 | 158.8 | 132.1 | -101 | 159.1 | -173 | -177.3 | 0 | 112.3 | ||||
| 220 | P | 44.4 | Very low | 43.1 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -128.3 | 173.4 | -149.9 | 42.9 | -29.1 | 0 | 0 | 0 | 117.4 | ||||
| 221 | A | 38.4 | Very low | 43.1 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 72.2 | 120.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 222 | K | 43.5 | Very low | 43.2 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | -151.3 | 148.1 | 128.4 | -150.2 | 159.1 | -176.5 | 173.8 | 0 | 112.9 | |||||
| 223 | A | 39.6 | Very low | 43.8 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -65.8 | 159.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 224 | S | 46.1 | Very low | 44.4 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -139.5 | 158.5 | 132.3 | 81.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 225 | K | 40.9 | Very low | 45 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -143.7 | 141.9 | -163 | 165.3 | 175.7 | 175.1 | -176 | 0 | 112.6 | ||||
| 226 | A | 39.1 | Very low | 44.8 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 89.3 | 150.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 227 | A | 43.3 | Very low | 45 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 77.7 | 133.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 228 | A | 44.4 | Very low | 45 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | cis | -165.2 | 174.9 | -15.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 229 | T | 56.4 | Low | 45 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | trans | 91.1 | 147 | 169.4 | 74.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 230 | P | 46.1 | Very low | 44.8 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -137.1 | 145 | -143.9 | 37.7 | -17.4 | 0 | 0 | 0 | 120.4 | ||||
| 231 | K | 44.2 | Very low | 45.3 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 69 | 163.1 | 150.6 | -72.1 | -178.9 | -179 | 177.6 | 0 | 117.7 | ||||
| 232 | P | 47.9 | Very low | 46.1 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | cis | -127.3 | -160 | 16.4 | 51.6 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 233 | P | 46 | Very low | 46.8 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -124.5 | -177.1 | -133.9 | 33.9 | -9.9 | 0 | 0 | 0 | 117.4 | ||||
| 234 | R | 49.8 | Very low | 47.9 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 85.1 | 94.5 | 163.7 | -52.7 | 170 | 173.9 | 151.2 | -4.2 | 118.2 | ||||
| 235 | K | 50.1 | Low | 48.6 | Very low | 211 Ų | 211 | 136.9 Ų | 136.9 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | -175.9 | 144.3 | 92.8 | -103.2 | 168.8 | 176.9 | 174.7 | 0 | 111.8 | |||||
| 236 | S | 40.5 | Very low | 50.1 | Low | 124 Ų | 124 | 136.7 Ų | 136.7 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 133.3 | -178 | -45.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 237 | A | 42.1 | Very low | 51.7 | Low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 165.7 | 137.9 | 134 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 238 | N | 49.2 | Very low | 53.4 | Low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 53 | 92.8 | 163.1 | -67 | -7 | 0 | 0 | 0 | 119.1 | A240 | N238-A240 PolarHBondContact O-N 3.3Š| ||
| 239 | N | 40.9 | Very low | 55 | Low | 180 Ų | 180 | 141.2 Ų | 141.2 | 96% | 0.963 | 75% | 0.749 | S | S | * | * | trans | -60 | 101.4 | 147.9 | -84.1 | -78.8 | 0 | 0 | 0 | 110 | ||||
| 240 | A | 47.3 | Very low | 56.3 | Low | 77 Ų | 77 | 137 Ų | 137 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -130.9 | 115.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | N238 Q242 | N238-A240 PolarHBondContact O-N 3.3Å; A240-Q242 PolarHBondContact O-N 2.99Å | ||
| 241 | H | 55.9 | Low | 58.3 | Low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | trans | -57.2 | 110.4 | 172.3 | 175.7 | 63.7 | 0 | 0 | 0 | 107.8 | V243 | H241-V243 VanDerWaalsContact C-N 3.31Å; H241-V243 PolarHBondContact O-N 3.01Å | ||
| 242 | Q | 53.8 | Low | 60.3 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | trans | -64.3 | 94.2 | -179.1 | -70.5 | -177.7 | 13.2 | 0 | 0 | 108.7 | A240 P244 | A240-Q242 PolarHBondContact O-N 2.99Å; Q242-P244 WeakPolarHBondContact O-CD 3.2Å | ||
| 243 | V | 58.6 | Low | 62.4 | Low | 105 Ų | 105 | 133.7 Ų | 133.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 119.5 | 167.2 | 176.5 | 0 | 0 | 0 | 0 | 105.7 | H241 D245 | H241-V243 VanDerWaalsContact C-N 3.31Å; H241-V243 PolarHBondContact O-N 3.01Å; V243-D245 PolarHBondContact O-N 3.29Å; V243-D245 VanDerWaalsContact O-N 3.08Å |
| 244 | P | 62.4 | Low | 64.3 | Low | 67 Ų | 67 | 134.5 Ų | 134.5 | 44% | 0.435 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 122 | -178.2 | -24 | 33.1 | 0 | 0 | 0 | 109 | Q242 K246 T248 | Q242-P244 WeakPolarHBondContact O-CD 3.2Å; P244-K246 PolarHBondContact O-N 2.77Å; P244-T248 WeakPolarHBondContact CB-OG1 3.31Å |
| 245 | D | 62.7 | Low | 66.1 | Low | 123 Ų | 123 | 130.3 Ų | 130.3 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 139.4 | -179 | -73.8 | -55.6 | 0 | 0 | 0 | 109.5 | V243 E247 T248 R249 | V243-D245 PolarHBondContact O-N 3.29Å; V243-D245 VanDerWaalsContact O-N 3.08Å; D245-E247 CarbonylContact O-C 3.59Å; D245-E247 PolarHBondContact O-N 3.45Å; D245-T248 HydrophobicContact CB-CG2 4.33Å; D245-T248 PolarHBondContact N-OG1 3.28Å; D245-T248 PolarHBondContact O-N 3.4Å; D245-T248 PolarHBondContact O-OG1 3.41Å; D245-R249 PolarHBondContact O-N 3.47Å |
| 246 | K | 72.1 | Confident | 67.9 | Low | 193 Ų | 193 | 122.9 Ų | 122.9 | 84% | 0.839 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -51.8 | -31.4 | -170.2 | -64.2 | 172.7 | -176.9 | 171.1 | 0 | 111.9 | P244 A250 | P244-K246 PolarHBondContact O-N 2.77Å; K246-A250 WeakPolarHBondContact O-CB 3.29Å; K246-A250 PolarHBondContact O-N 3.48Å |
| 247 | E | 71.6 | Confident | 70.4 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.7 | -44.3 | 174.4 | -166.7 | 174.8 | 177.6 | 0 | 0 | 114.2 | D245 R249 A250 K251 | D245-E247 CarbonylContact O-C 3.59Å; D245-E247 PolarHBondContact O-N 3.45Å; E247-R249 VanDerWaalsContact C-N 3.3Å; E247-R249 PolarHBondContact O-N 3.49Å; E247-A250 WeakPolarHBondContact O-CB 3.39Å; E247-A250 PolarHBondContact O-N 3.12Å; E247-A250 VanDerWaalsContact O-N 3.11Å; E247-K251 WeakPolarHBondContact O-CB 3.22Å; E247-K251 PolarHBondContact O-N 3.28Å |
| 248 | T | 79.4 | Confident | 72.4 | Confident | 73 Ų | 73 | 127.2 Ų | 127.2 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.2 | -40.7 | 175.4 | 67 | 0 | 0 | 0 | 0 | 111.4 | P244 D245 K251 A252 | P244-T248 WeakPolarHBondContact CB-OG1 3.31Å; D245-T248 HydrophobicContact CB-CG2 4.33Å; D245-T248 PolarHBondContact N-OG1 3.28Å; D245-T248 PolarHBondContact O-N 3.4Å; D245-T248 PolarHBondContact O-OG1 3.41Å; T248-K251 PolarHBondContact O-N 3.36Å; T248-A252 WeakPolarHBondContact O-CB 3.49Å; T248-A252 PolarHBondContact O-N 3.22Å |
| 249 | R | 78.5 | Confident | 74.2 | Confident | 137 Ų | 137 | 128 Ų | 128 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.1 | -35.6 | 174.5 | -179.1 | 176.8 | -75.1 | 173.5 | -3.4 | 111.9 | D245 E247 R253 | D245-R249 PolarHBondContact O-N 3.47Å; E247-R249 VanDerWaalsContact C-N 3.3Å; E247-R249 PolarHBondContact O-N 3.49Å; R249-R253 VanDerWaalsContact O-CG 3.3Å; R249-R253 WeakPolarHBondContact O-CG 3.44Å; R249-R253 PolarHBondContact O-N 3.4Å |
| 250 | A | 83.6 | Confident | 76.3 | Confident | 54 Ų | 54 | 124 Ų | 124 | 45% | 0.446 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.5 | -48.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K246 E247 A252 R253 E254 | K246-A250 WeakPolarHBondContact O-CB 3.29Å; K246-A250 PolarHBondContact O-N 3.48Å; E247-A250 WeakPolarHBondContact O-CB 3.39Å; E247-A250 PolarHBondContact O-N 3.12Å; E247-A250 VanDerWaalsContact O-N 3.11Å; A250-A252 VanDerWaalsContact C-N 3.32Å; A250-A252 PolarHBondContact O-N 3.32Å; A250-R253 CarbonylContact O-C 3.59Å; A250-R253 WeakPolarHBondContact O-CA 3.37Å; A250-R253 WeakPolarHBondContact O-CB 3.44Å; A250-R253 PolarHBondContact O-N 3.31Å; A250-E254 PolarHBondContact O-N 3.07Å |
| 251 | K | 87.6 | Confident | 78.2 | Confident | 138 Ų | 138 | 127.9 Ų | 127.9 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.9 | -36.3 | 178.6 | -162.9 | 166 | -169.5 | 164.9 | 0 | 112.8 | E247 T248 E254 R255 | E247-K251 WeakPolarHBondContact O-CB 3.22Å; E247-K251 PolarHBondContact O-N 3.28Å; T248-K251 PolarHBondContact O-N 3.36Å; K251-E254 PolarHBondContact O-N 3.08Å; K251-R255 PolarHBondContact O-N 3.5Å |
| 252 | A | 86.6 | Confident | 79.5 | Confident | 60 Ų | 60 | 123.3 Ų | 123.3 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T248 A250 A256 | T248-A252 WeakPolarHBondContact O-CB 3.49Å; T248-A252 PolarHBondContact O-N 3.22Å; A250-A252 VanDerWaalsContact C-N 3.32Å; A250-A252 PolarHBondContact O-N 3.32Å; A252-A256 PolarHBondContact O-N 3.04Å; A252-A256 VanDerWaalsContact O-N 3.1Å |
| 253 | R | 91.3 | Very high | 81.1 | Confident | 168 Ų | 168 | 122.5 Ų | 122.5 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.7 | -35.2 | 175.3 | -74.3 | 170.7 | 169.4 | -170.5 | -5.2 | 112.4 | R249 A250 A256 R257 | R249-R253 VanDerWaalsContact O-CG 3.3Å; R249-R253 WeakPolarHBondContact O-CG 3.44Å; R249-R253 PolarHBondContact O-N 3.4Å; A250-R253 CarbonylContact O-C 3.59Å; A250-R253 WeakPolarHBondContact O-CA 3.37Å; A250-R253 WeakPolarHBondContact O-CB 3.44Å; A250-R253 PolarHBondContact O-N 3.31Å; R253-A256 PolarHBondContact O-N 3.09Å; R253-R257 WeakPolarHBondContact O-CG 3.4Å; R253-R257 PolarHBondContact O-N 3.2Å; R253-R257 VanDerWaalsContact O-N 3.17Å |
| 254 | E | 86.3 | Confident | 82.4 | Confident | 123 Ų | 123 | 122.4 Ų | 122.4 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -50.3 | 175.1 | -178.1 | 163.9 | -127.8 | 0 | 0 | 112 | A250 K251 A256 R257 E258 | A250-E254 PolarHBondContact O-N 3.07Å; K251-E254 PolarHBondContact O-N 3.08Å; E254-A256 PolarHBondContact O-N 3.43Å; E254-R257 CarbonylContact O-C 3.58Å; E254-R257 WeakPolarHBondContact O-CA 3.41Å; E254-R257 WeakPolarHBondContact O-CB 3.38Å; E254-R257 PolarHBondContact O-N 3.38Å; E254-E258 PolarHBondContact O-N 2.98Å |
| 255 | R | 87.7 | Confident | 83.7 | Confident | 142 Ų | 142 | 125.7 Ų | 125.7 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58 | -33.8 | 174 | -179.6 | 174.8 | -74.5 | 146.1 | -7.2 | 112.8 | K251 E258 R259 | K251-R255 PolarHBondContact O-N 3.5Å; R255-E258 PolarHBondContact O-N 3.4Å; R255-R259 WeakPolarHBondContact O-CG 3.41Å; R255-R259 PolarHBondContact O-N 2.99Å |
| 256 | A | 87.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 125 Ų | 125 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | A252 R253 E254 T260 | A252-A256 PolarHBondContact O-N 3.04Å; A252-A256 VanDerWaalsContact O-N 3.1Å; R253-A256 PolarHBondContact O-N 3.09Å; E254-A256 PolarHBondContact O-N 3.43Å; A256-T260 PolarHBondContact O-N 2.88Å; A256-T260 PolarHBondContact O-OG1 3.05Å; A256-T260 VanDerWaalsContact O-OG1 3.13Å |
| 257 | R | 93 | Very high | 85.6 | Confident | 180 Ų | 180 | 123.8 Ų | 123.8 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.6 | -41.6 | 173.7 | -67.5 | 166.2 | 174.9 | 179.8 | -3.1 | 112 | R253 E254 T260 K261 | R253-R257 WeakPolarHBondContact O-CG 3.4Å; R253-R257 PolarHBondContact O-N 3.2Å; R253-R257 VanDerWaalsContact O-N 3.17Å; E254-R257 CarbonylContact O-C 3.58Å; E254-R257 WeakPolarHBondContact O-CA 3.41Å; E254-R257 WeakPolarHBondContact O-CB 3.38Å; E254-R257 PolarHBondContact O-N 3.38Å; R257-T260 PolarHBondContact O-N 3.34Å; R257-K261 PolarHBondContact O-N 3.13Å |
| 258 | E | 83.8 | Confident | 86.1 | Confident | 123 Ų | 123 | 123.4 Ų | 123.4 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.6 | -47.8 | 173.6 | -72.4 | -167.4 | 133.2 | 0 | 0 | 111.8 | E254 R255 T260 K261 E262 | E254-E258 PolarHBondContact O-N 2.98Å; R255-E258 PolarHBondContact O-N 3.4Å; E258-T260 PolarHBondContact O-N 3.25Å; E258-K261 PolarHBondContact O-N 3.36Å; E258-K261 VanDerWaalsContact O-N 3.09Å; E258-E262 WeakPolarHBondContact O-CB 3.46Å; E258-E262 PolarHBondContact O-N 3.39Å |
| 259 | R | 86.9 | Confident | 86.5 | Confident | 175 Ų | 175 | 123.7 Ų | 123.7 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.4 | -34 | 175.5 | -76.1 | 179.3 | 174.3 | -168.5 | -2.1 | 112.8 | R255 K263 | R255-R259 WeakPolarHBondContact O-CG 3.41Å; R255-R259 PolarHBondContact O-N 2.99Å; R259-K263 WeakPolarHBondContact O-CB 3.41Å; R259-K263 VanDerWaalsContact O-CG 3.28Å; R259-K263 WeakPolarHBondContact O-CG 3.46Å; R259-K263 PolarHBondContact O-N 3.31Å |
| 260 | T | 85.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 124.9 Ų | 124.9 | 60% | 0.595 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.8 | -43.7 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 112 | A256 R257 E258 K263 H264 | A256-T260 PolarHBondContact O-N 2.88Å; A256-T260 PolarHBondContact O-OG1 3.05Å; A256-T260 VanDerWaalsContact O-OG1 3.13Å; R257-T260 PolarHBondContact O-N 3.34Å; E258-T260 PolarHBondContact O-N 3.25Å; T260-K263 PolarHBondContact O-N 3.48Å; T260-H264 WeakPolarHBondContact O-CB 3.28Å; T260-H264 PolarHBondContact O-N 3.47Å |
| 261 | K | 87.5 | Confident | 86.7 | Confident | 157 Ų | 157 | 126.3 Ų | 126.3 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.9 | -44.4 | 174.8 | -69.3 | -179.9 | -178.6 | -179.1 | 0 | 111.5 | R257 E258 H264 R265 | R257-K261 PolarHBondContact O-N 3.13Å; E258-K261 PolarHBondContact O-N 3.36Å; E258-K261 VanDerWaalsContact O-N 3.09Å; K261-H264 WeakPolarHBondContact O-CB 3.34Å; K261-H264 PolarHBondContact O-N 3Å; K261-H264 VanDerWaalsContact O-N 3.16Å; K261-R265 PolarHBondContact O-N 2.98Å |
| 262 | E | 83 | Confident | 86.4 | Confident | 81 Ų | 81 | 122.1 Ų | 122.1 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | -179.2 | -176.2 | 55.2 | -158.5 | 0 | 0 | 112.1 | E258 H264 R265 M266 | E258-E262 WeakPolarHBondContact O-CB 3.46Å; E258-E262 PolarHBondContact O-N 3.39Å; E262-H264 VanDerWaalsContact C-N 3.26Å; E262-H264 PolarHBondContact O-N 3.16Å; E262-R265 PolarHBondContact O-N 2.88Å; E262-R265 IonicContact OE1-CZ 3.65Å; E262-R265 IonicContact OE1-NE 2.81Å; E262-R265 PolarHBondContact OE1-NE 3.17Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 PolarHBondContact OE1-NH2 3.41Å; E262-R265 IonicContact OE2-CZ 3.9Å; E262-R265 IonicContact OE2-NE 2.7Å; E262-R265 PolarHBondContact OE2-NE 2.91Å; E262-R265 IonicContact OE2-NH2 3.4Å; E262-M266 WeakPolarHBondContact O-CB 3.33Å; E262-M266 WeakPolarHBondContact O-CG 3.4Å; E262-M266 PolarHBondContact O-N 3.24Å |
| 263 | K | 87.2 | Confident | 86.1 | Confident | 164 Ų | 164 | 122.2 Ų | 122.2 | 71% | 0.713 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.9 | -37.9 | 168.9 | -80.4 | -176.9 | 175.6 | -167.4 | 0 | 112.2 | R259 T260 R267 | R259-K263 WeakPolarHBondContact O-CB 3.41Å; R259-K263 VanDerWaalsContact O-CG 3.28Å; R259-K263 WeakPolarHBondContact O-CG 3.46Å; R259-K263 PolarHBondContact O-N 3.31Å; T260-K263 PolarHBondContact O-N 3.48Å; K263-R267 WeakPolarHBondContact O-CB 3.39Å; K263-R267 PolarHBondContact O-N 2.99Å |
| 264 | H | 86 | Confident | 85.5 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 176.2 | -164.5 | 45.9 | 0 | 0 | 0 | 111.5 | T260 K261 E262 R267 W268 | T260-H264 WeakPolarHBondContact O-CB 3.28Å; T260-H264 PolarHBondContact O-N 3.47Å; K261-H264 WeakPolarHBondContact O-CB 3.34Å; K261-H264 PolarHBondContact O-N 3Å; K261-H264 VanDerWaalsContact O-N 3.16Å; E262-H264 VanDerWaalsContact C-N 3.26Å; E262-H264 PolarHBondContact O-N 3.16Å; H264-R267 PolarHBondContact O-N 2.86Å; H264-W268 AromaticContact CD2-CD1 3.84Å; H264-W268 AromaticContact CD2-NE1 3.73Å; H264-W268 AromaticContact CE1-CD1 3.62Å; H264-W268 AromaticContact CE1-NE1 3.13Å; H264-W268 PolarHBondContact CE1-NE1 3.36Å; H264-W268 AromaticContact CG-CD1 3.96Å; H264-W268 AromaticContact ND1-CD1 3.81Å; H264-W268 AromaticContact ND1-NE1 3.8Å; H264-W268 AromaticContact NE2-CD1 3.63Å; H264-W268 AromaticContact NE2-NE1 3.05Å; H264-W268 PolarHBondContact NE2-NE1 3.5Å; H264-W268 VanDerWaalsContact O-CD1 3.27Å; H264-W268 PolarHBondContact O-N 2.84Å |
| 265 | R | 88.7 | Confident | 84.9 | Confident | 136 Ų | 136 | 116 Ų | 116 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.2 | -166.9 | -175.5 | 74.9 | 88.6 | 4.1 | 111.7 | K261 E262 R267 W268 V269 | K261-R265 PolarHBondContact O-N 2.98Å; E262-R265 PolarHBondContact O-N 2.88Å; E262-R265 IonicContact OE1-CZ 3.65Å; E262-R265 IonicContact OE1-NE 2.81Å; E262-R265 PolarHBondContact OE1-NE 3.17Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 PolarHBondContact OE1-NH2 3.41Å; E262-R265 IonicContact OE2-CZ 3.9Å; E262-R265 IonicContact OE2-NE 2.7Å; E262-R265 PolarHBondContact OE2-NE 2.91Å; E262-R265 IonicContact OE2-NH2 3.4Å; R265-R267 VanDerWaalsContact C-N 3.33Å; R265-R267 PolarHBondContact O-N 3.25Å; R265-W268 PolarHBondContact O-N 3.16Å; R265-W268 VanDerWaalsContact O-N 3.17Å; R265-V269 WeakPolarHBondContact O-CG2 3.45Å; R265-V269 PolarHBondContact O-N 3.37Å |
| 266 | M | 87.4 | Confident | 83.6 | Confident | 108 Ų | 108 | 114.9 Ų | 114.9 | 53% | 0.532 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 176.9 | -72.4 | -65.5 | -69.7 | 0 | 0 | 112.7 | E262 K270 | E262-M266 WeakPolarHBondContact O-CB 3.33Å; E262-M266 WeakPolarHBondContact O-CG 3.4Å; E262-M266 PolarHBondContact O-N 3.24Å; M266-K270 WeakPolarHBondContact O-CB 3.41Å; M266-K270 PolarHBondContact O-N 2.7Å |
| 267 | R | 88.4 | Confident | 82.3 | Confident | 168 Ų | 168 | 117.3 Ų | 117.3 | 63% | 0.634 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | 173.2 | -173.9 | 179.4 | -178.4 | -87.4 | 5.1 | 111.9 | K263 H264 R265 L271 | K263-R267 WeakPolarHBondContact O-CB 3.39Å; K263-R267 PolarHBondContact O-N 2.99Å; H264-R267 PolarHBondContact O-N 2.86Å; R265-R267 VanDerWaalsContact C-N 3.33Å; R265-R267 PolarHBondContact O-N 3.25Å; R267-L271 WeakPolarHBondContact O-CB 3.42Å; R267-L271 PolarHBondContact O-N 2.81Å |
| 268 | W | 81.9 | Confident | 80.3 | Confident | 150 Ų | 150 | 116.1 Ų | 116.1 | 57% | 0.568 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -44.5 | 174.4 | -86.9 | 108.6 | 0 | 0 | 0 | 112.2 | H264 R265 K270 L271 A272 | H264-W268 AromaticContact CD2-CD1 3.84Å; H264-W268 AromaticContact CD2-NE1 3.73Å; H264-W268 AromaticContact CE1-CD1 3.62Å; H264-W268 AromaticContact CE1-NE1 3.13Å; H264-W268 PolarHBondContact CE1-NE1 3.36Å; H264-W268 AromaticContact CG-CD1 3.96Å; H264-W268 AromaticContact ND1-CD1 3.81Å; H264-W268 AromaticContact ND1-NE1 3.8Å; H264-W268 AromaticContact NE2-CD1 3.63Å; H264-W268 AromaticContact NE2-NE1 3.05Å; H264-W268 PolarHBondContact NE2-NE1 3.5Å; H264-W268 VanDerWaalsContact O-CD1 3.27Å; H264-W268 PolarHBondContact O-N 2.84Å; R265-W268 PolarHBondContact O-N 3.16Å; R265-W268 VanDerWaalsContact O-N 3.17Å; W268-K270 PolarHBondContact O-N 2.98Å; W268-L271 PolarHBondContact O-N 3.28Å; W268-A272 WeakPolarHBondContact O-CB 3.49Å; W268-A272 PolarHBondContact O-N 2.83Å |
| 269 | V | 86.5 | Confident | 78.8 | Confident | 78 Ų | 78 | 113.4 Ų | 113.4 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.1 | -46.9 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | R265 L271 A272 S273 | R265-V269 WeakPolarHBondContact O-CG2 3.45Å; R265-V269 PolarHBondContact O-N 3.37Å; V269-L271 VanDerWaalsContact C-N 3.31Å; V269-L271 PolarHBondContact O-N 3.05Å; V269-A272 PolarHBondContact O-N 3.09Å; V269-S273 PolarHBondContact O-N 3.19Å; V269-S273 PolarHBondContact O-OG 3.13Å |
| 270 | K | 85.2 | Confident | 77.1 | Confident | 163 Ų | 163 | 108.5 Ų | 108.5 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -34 | 178.4 | -173.3 | 170.8 | -178.1 | 176.5 | 0 | 113.1 | M266 W268 S273 A274 | M266-K270 WeakPolarHBondContact O-CB 3.41Å; M266-K270 PolarHBondContact O-N 2.7Å; W268-K270 PolarHBondContact O-N 2.98Å; K270-S273 WeakPolarHBondContact CA-OG 3.3Å; K270-S273 PolarHBondContact O-OG 3.25Å; K270-A274 PolarHBondContact O-N 3.18Å |
| 271 | L | 82.9 | Confident | 75.6 | Confident | 84 Ų | 84 | 108 Ų | 108 | 44% | 0.44 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.7 | -42.8 | 176.3 | -175.2 | 62.8 | 0 | 0 | 0 | 111.4 | R267 W268 V269 A274 I275 | R267-L271 WeakPolarHBondContact O-CB 3.42Å; R267-L271 PolarHBondContact O-N 2.81Å; W268-L271 PolarHBondContact O-N 3.28Å; V269-L271 VanDerWaalsContact C-N 3.31Å; V269-L271 PolarHBondContact O-N 3.05Å; L271-A274 WeakPolarHBondContact O-CB 3.44Å; L271-A274 PolarHBondContact O-N 3.48Å; L271-I275 PolarHBondContact O-N 2.93Å |
| 272 | A | 80.2 | Confident | 74.2 | Confident | 49 Ų | 49 | 104.7 Ų | 104.7 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.6 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W268 V269 A274 I275 | W268-A272 WeakPolarHBondContact O-CB 3.49Å; W268-A272 PolarHBondContact O-N 2.83Å; V269-A272 PolarHBondContact O-N 3.09Å; A272-A274 PolarHBondContact O-N 2.98Å; A272-A274 VanDerWaalsContact O-N 3.09Å; A272-I275 PolarHBondContact O-N 3.03Å |
| 273 | S | 80.1 | Confident | 72.8 | Confident | 63 Ų | 63 | 105.3 Ų | 105.3 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -16.2 | 178 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | V269 K270 | V269-S273 PolarHBondContact O-N 3.19Å; V269-S273 PolarHBondContact O-OG 3.13Å; K270-S273 WeakPolarHBondContact CA-OG 3.3Å; K270-S273 PolarHBondContact O-OG 3.25Å |
| 274 | A | 79.3 | Confident | 70.7 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 43% | 0.43 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.5 | -31.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K270 L271 A272 | K270-A274 PolarHBondContact O-N 3.18Å; L271-A274 WeakPolarHBondContact O-CB 3.44Å; L271-A274 PolarHBondContact O-N 3.48Å; A272-A274 PolarHBondContact O-N 2.98Å; A272-A274 VanDerWaalsContact O-N 3.09Å |
| 275 | I | 72.6 | Confident | 68.9 | Low | 107 Ų | 107 | 101.2 Ų | 101.2 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71 | -40.1 | -178 | -64.5 | 164.6 | 0 | 0 | 0 | 110.8 | L271 A272 V277 E278 A279 | L271-I275 PolarHBondContact O-N 2.93Å; A272-I275 PolarHBondContact O-N 3.03Å; I275-V277 PolarHBondContact O-N 2.9Å; I275-E278 PolarHBondContact O-N 3.17Å; I275-A279 PolarHBondContact O-N 3.22Å; I275-A279 VanDerWaalsContact O-N 3.12Å |
| 276 | D | 61.1 | Low | 66.9 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64 | -27.6 | -179.9 | -66.1 | -37 | 0 | 0 | 0 | 113.3 | A280 | D276-A280 PolarHBondContact O-N 3.47Å |
| 277 | V | 60.4 | Low | 64.8 | Low | 106 Ų | 106 | 102.8 Ų | 102.8 | 64% | 0.642 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.5 | -37.1 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | I275 A281 | I275-V277 PolarHBondContact O-N 2.9Å; V277-A281 PolarHBondContact O-N 3.02Å |
| 278 | E | 51.4 | Low | 62.7 | Low | 155 Ų | 155 | 106.4 Ų | 106.4 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.7 | -32.3 | -177.8 | -162.1 | 159.8 | -169.7 | 0 | 0 | 112 | I275 A280 A281 A282 | I275-E278 PolarHBondContact O-N 3.17Å; E278-A280 PolarHBondContact O-N 3.1Å; E278-A281 PolarHBondContact O-N 2.87Å; E278-A282 PolarHBondContact O-N 3.05Å |
| 279 | A | 51.4 | Low | 60.7 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I275 A281 A282 | I275-A279 PolarHBondContact O-N 3.22Å; I275-A279 VanDerWaalsContact O-N 3.12Å; A279-A281 VanDerWaalsContact C-N 3.32Å; A279-A281 PolarHBondContact O-N 3.45Å; A279-A282 PolarHBondContact O-N 3.19Å |
| 280 | A | 51.6 | Low | 58.7 | Low | 72 Ų | 72 | 107.3 Ų | 107.3 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.7 | -27.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D276 E278 | D276-A280 PolarHBondContact O-N 3.47Å; E278-A280 PolarHBondContact O-N 3.1Å |
| 281 | A | 56 | Low | 56.9 | Low | 86 Ų | 86 | 105 Ų | 105 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.9 | -21.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V277 E278 A279 | V277-A281 PolarHBondContact O-N 3.02Å; E278-A281 PolarHBondContact O-N 2.87Å; A279-A281 VanDerWaalsContact C-N 3.32Å; A279-A281 PolarHBondContact O-N 3.45Å |
| 282 | A | 57.4 | Low | 55 | Low | 88 Ų | 88 | 108 Ų | 108 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -86.6 | -8.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | E278 A279 | E278-A282 PolarHBondContact O-N 3.05Å; A279-A282 PolarHBondContact O-N 3.19Å |
| 283 | S | 54 | Low | 53.2 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | trans | -108.7 | 62.8 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 284 | G | 42.1 | Very low | 51.7 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | -92.8 | 123.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 285 | P | 49.3 | Very low | 49.8 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -73.8 | 137.2 | 179.9 | 30.1 | -34 | 0 | 0 | 0 | 111.6 | ||||
| 286 | S | 46.6 | Very low | 48.4 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -118.9 | 90.4 | 172.1 | -75.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 287 | D | 43.6 | Very low | 47.7 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -80.6 | 123.8 | 166 | -77.9 | -55.9 | 0 | 0 | 0 | 110.8 | ||||
| 288 | R | 43.1 | Very low | 46.7 | Very low | 244 Ų | 244 | 124.7 Ų | 124.7 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -164.8 | 136 | 148.2 | -114.9 | 161.5 | 172.3 | -118.5 | -6 | 113.2 | ||||
| 289 | P | 40.6 | Very low | 46.4 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -96.8 | 169.4 | -169.9 | 38.7 | -37 | 0 | 0 | 0 | 114.1 | ||||
| 290 | S | 43.1 | Very low | 46.1 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -132 | 148.4 | 169.7 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 291 | S | 47.7 | Very low | 45.7 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -111.9 | 143.1 | -170.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 292 | N | 44 | Very low | 45.6 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -95 | 149.1 | 176.1 | -65.7 | -28.2 | 0 | 0 | 0 | 112.1 | ||||
| 293 | N | 42.6 | Very low | 45.3 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | 164 | 110.7 | 137.4 | -80.6 | -30.1 | 0 | 0 | 0 | 109.1 | ||||
| 294 | L | 47.7 | Very low | 44.8 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | 87.2 | 112.7 | 69.8 | -153.7 | 86.6 | 0 | 0 | 0 | 114.1 | |||||
| 295 | S | 40.1 | Very low | 45.3 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 152.9 | 122.5 | 135.9 | -71.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 296 | H | 42.8 | Very low | 44.8 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | 34.5 | 144 | 139.7 | -45.3 | -68.3 | 0 | 0 | 0 | 121.4 | ||||
| 297 | H | 45.9 | Very low | 44.4 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | cis | -174.5 | 153.7 | 48.1 | 47.4 | -77.9 | 0 | 0 | 0 | 114.4 | ||||
| 298 | S | 40.1 | Very low | 44 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 28.1 | 151.5 | 143 | -52.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 299 | S | 44.6 | Very low | 44 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | cis | 176.2 | 171.6 | -5.5 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 300 | L | 45.9 | Very low | 43.9 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | 78.7 | 151.6 | 163.7 | -59.1 | 152.3 | 0 | 0 | 0 | 118 | ||||
| 301 | S | 43.4 | Very low | 43.9 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 55% | 0.552 | 79% | 0.79 | S | S | * | * | cis | -173.4 | 167.9 | -21.8 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 302 | M | 53.5 | Low | 44 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | trans | 71.8 | 159.6 | 166.6 | -39 | -56.7 | -179.4 | 0 | 0 | 118.9 | ||||
| 303 | N | 51.6 | Low | 44.1 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | -159.9 | 161.5 | -50.7 | -163.3 | 12.6 | 0 | 0 | 0 | 109.3 | |||||
| 304 | M | 43.1 | Very low | 44.1 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -78.4 | 177.4 | -179.8 | -83.9 | -69.9 | -177.7 | 0 | 0 | 113.6 | ||||
| 305 | P | 53 | Low | 43.7 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -152.5 | -160.9 | 32.5 | 45.2 | -20.9 | 0 | 0 | 0 | 119.5 | ||||
| 306 | C | 38.1 | Very low | 43.8 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 155.6 | -167.6 | -52.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 307 | A | 38.8 | Very low | 43.3 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -171 | 125 | 140.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 308 | A | 34.8 | Very low | 42.8 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | 75.5 | 96.9 | 63.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 309 | A | 43.6 | Very low | 42.8 | Very low | 105 Ų | 105 | 138 Ų | 138 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -173.6 | 144.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 310 | E | 37.2 | Very low | 42.5 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -83.5 | 153.4 | 169.1 | -62.9 | -172.1 | 98.4 | 0 | 0 | 112 | ||||
| 311 | L | 44.1 | Very low | 42.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | -173.5 | 132 | 118.2 | -104 | 165.5 | 0 | 0 | 0 | 114.6 | |||||
| 312 | E | 49.8 | Very low | 42.4 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -25.4 | 156.5 | 157.6 | -167.8 | 166.3 | 138.9 | 0 | 0 | 121.8 | ||||
| 313 | E | 44.7 | Very low | 41.9 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 130.8 | 153 | -97.3 | -159.1 | 146.2 | 0 | 0 | 124.6 | ||||
| 314 | R | 44 | Very low | 41.4 | Very low | 172 Ų | 172 | 141 Ų | 141 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | 82.5 | 98.7 | 140.4 | -73.9 | 172.3 | -175.6 | -86.2 | -23 | 122.6 | ||||
| 315 | E | 38.9 | Very low | 41.4 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | 40.8 | 105 | 99.5 | -61.4 | -80.7 | 134.7 | 0 | 0 | 118 | |||||
| 316 | R | 41.2 | Very low | 41.1 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | 174.8 | 135.6 | 113 | -96.7 | 171.3 | -178.7 | 140.9 | 0.4 | 116.6 | |||||
| 317 | C | 34.1 | Very low | 41.2 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 61.4 | 107.4 | 134.1 | -64.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 318 | S | 35.3 | Very low | 41.4 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 91 | 148.2 | 109 | -62.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 319 | S | 38.9 | Very low | 41.9 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 76.4 | 151 | 163.4 | 88.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 320 | A | 39.2 | Very low | 41.8 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | cis | -165.5 | 146 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 321 | L | 45.9 | Very low | 41.9 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | 65.8 | 166 | 148.6 | -48.1 | 160.9 | 0 | 0 | 0 | 115.5 | ||||
| 322 | S | 40 | Very low | 41.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | cis | -150.7 | 161.5 | -3.2 | -150.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 323 | N | 43.7 | Very low | 41.5 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -60.7 | 156.2 | 177.4 | -54.1 | -72.5 | 0 | 0 | 0 | 115.9 | ||||
| 324 | R | 40.8 | Very low | 41.3 | Very low | 242 Ų | 242 | 131.9 Ų | 131.9 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | -174.1 | 120.8 | 119.1 | -97.7 | 155.9 | -165.1 | -104.8 | 1.6 | 110.2 | |||||
| 325 | S | 43.4 | Very low | 41.4 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 81.2 | 105.8 | 90.3 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 326 | A | 46.1 | Very low | 42 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | cis | 92.4 | 121.6 | 40.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 327 | G | 41.3 | Very low | 42.2 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | 130.2 | 145.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | R | 42.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 50% | 0.498 | 74% | 0.744 | S | S | . | * | cis | -163.2 | 145.3 | -26.4 | -159.6 | 178.9 | -163.2 | -175.7 | 13.8 | 109 | F43 A46 D47 A48 | F43-R328 VanDerWaalsContact CZ-NH1 3.35Å; A46-R328 VanDerWaalsContact O-CB 3.31Å; A46-R328 WeakPolarHBondContact O-CB 3.49Å; A46-R328 WeakPolarHBondContact O-CD 3.48Å; A46-R328 WeakPolarHBondContact O-CG 3.43Å; D47-R328 CarbonylContact C-O 3.6Å; D47-R328 VanDerWaalsContact C-O 3.25Å; D47-R328 WeakPolarHBondContact CA-O 3.44Å; D47-R328 PolarHBondContact N-O 3.06Å; A48-R328 PolarHBondContact N-O 2.9Å | ||
| 329 | M | 45.6 | Very low | 43.1 | Very low | 103 Ų | 103 | 125 Ų | 125 | 51% | 0.507 | 75% | 0.747 | S | S | . | * | trans | 32.9 | 175.4 | 149.9 | -64 | 166.6 | 159.8 | 0 | 0 | 121.8 | F43 D47 | F43-M329 HydrophobicContact CD1-CE 3.82Å; F43-M329 HydrophobicContact CD1-SD 3.74Å; F43-M329 HydrophobicContact CE1-CE 4.44Å; F43-M329 HydrophobicContact CE1-SD 3.78Å; D47-M329 WeakPolarHBondContact CA-O 3.4Å; D47-M329 PolarHBondContact N-O 3.32Å | ||
| 330 | Q | 42 | Very low | 43.3 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 44% | 0.435 | 74% | 0.741 | S | S | . | * | cis | -142.4 | -170.6 | -2.9 | -147.5 | 151.9 | 89.7 | 0 | 0 | 113.7 | A45 | A45-Q330 VanDerWaalsContact CA-OE1 3.25Š| ||
| 331 | E | 37.8 | Very low | 43.4 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -112.6 | 162.9 | -147.5 | -52.6 | 167.2 | 125.2 | 0 | 0 | 114.5 | ||||
| 332 | I | 41.6 | Very low | 43.2 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -134.5 | 125.2 | 149.8 | -33 | 176.2 | 0 | 0 | 0 | 109.3 | ||||
| 333 | T | 44.4 | Very low | 43.3 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -72.5 | 139.3 | -178.9 | 6.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 334 | G | 41.4 | Very low | 43.4 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -166.1 | 96 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 335 | A | 45.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -74.4 | 130.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 336 | S | 50.3 | Low | 43.2 | Very low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -154.6 | 126.8 | 159.6 | -80.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 337 | D | 46.1 | Very low | 43 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -73.1 | 125.6 | 179.9 | -168.2 | -43.3 | 0 | 0 | 0 | 110.3 | ||||
| 338 | V | 44.1 | Very low | 43 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | -110 | 89.9 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | L340 | V338-L340 HydrophobicContact CG1-CD2 4.29Å; V338-L340 HydrophobicContact CG1-CG 4.27Å | ||
| 339 | V | 43.6 | Very low | 43.3 | Very low | 128 Ų | 128 | 122 Ų | 122 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -90.8 | 108.7 | 160.2 | 170.3 | 0 | 0 | 0 | 0 | 109 | G341 | V339-G341 PolarHBondContact O-N 3.48Š| ||
| 340 | L | 43.8 | Very low | 43.2 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 124.9 | 172.4 | -68.2 | 167.6 | 0 | 0 | 0 | 110.5 | V338 | V338-L340 HydrophobicContact CG1-CD2 4.29Å; V338-L340 HydrophobicContact CG1-CG 4.27Å | ||
| 341 | G | 41 | Very low | 43.2 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -120.9 | 90.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V339 G343 | V339-G341 PolarHBondContact O-N 3.48Å; G341-G343 PolarHBondContact O-N 2.86Å | ||
| 342 | F | 42.9 | Very low | 43.4 | Very low | 197 Ų | 197 | 119.5 Ų | 119.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -70.4 | 125.3 | 173.8 | -90.2 | -94.7 | 0 | 0 | 0 | 110.9 | ||||
| 343 | G | 40.5 | Very low | 43.3 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -105.8 | 127.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | G341 | G341-G343 PolarHBondContact O-N 2.86Š| ||
| 344 | N | 46 | Very low | 43.1 | Very low | 171 Ų | 171 | 111 Ų | 111 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 140.3 | 164.5 | -156.6 | 34.9 | 0 | 0 | 0 | 104.6 | ||||
| 345 | G | 43.2 | Very low | 43.1 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | 151.4 | 115.3 | 16.5 | 0 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 346 | G | 38.3 | Very low | 42.9 | Very low | 90 Ų | 90 | 120 Ų | 120 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 142 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 347 | G | 41.5 | Very low | 42.7 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 179.5 | 144.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 348 | G | 40.8 | Very low | 42.5 | Very low | 54 Ų | 54 | 124.1 Ų | 124.1 | 56% | 0.557 | 80% | 0.795 | S | S | * | * | cis | 144 | 122 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 349 | Y | 49.2 | Very low | 42.5 | Very low | 246 Ų | 246 | 126.8 Ų | 126.8 | 97% | 0.965 | 80% | 0.8 | S | S | * | * | trans | 57.4 | 148.5 | 176.6 | 69.1 | -97.5 | 0 | 0 | 0 | 119 | ||||
| 350 | G | 42.8 | Very low | 42.5 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 137.5 | 74.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 351 | D | 42.2 | Very low | 42.1 | Very low | 174 Ų | 174 | 129 Ų | 129 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -79 | 148.1 | 165.4 | 179.8 | 45.7 | 0 | 0 | 0 | 110.3 | ||||
| 352 | G | 41.7 | Very low | 42.3 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 156.8 | 102.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 353 | G | 39.3 | Very low | 42.5 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 147.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 354 | G | 41.5 | Very low | 42.9 | Very low | 50 Ų | 50 | 137.2 Ų | 137.2 | 52% | 0.515 | 79% | 0.794 | S | S | . | * | trans | -160.9 | 132.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y356 | G354-Y356 WeakPolarHBondContact O-CD1 3.4Å; G354-Y356 VanDerWaalsContact O-CE1 3.24Å; G354-Y356 WeakPolarHBondContact O-CE1 3.34Å; G354-Y356 PolarHBondContact O-N 3.36Å | ||
| 355 | N | 40.3 | Very low | 42.8 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 119.1 | -170.8 | -161.8 | 10 | 0 | 0 | 0 | 111.4 | Y357 | N355-Y357 PolarHBondContact O-N 2.99Š| ||
| 356 | Y | 41.8 | Very low | 42.6 | Very low | 205 Ų | 205 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 97.6 | -174.6 | -19.3 | -84.3 | 0 | 0 | 0 | 112.2 | G354 | G354-Y356 WeakPolarHBondContact O-CD1 3.4Å; G354-Y356 VanDerWaalsContact O-CE1 3.24Å; G354-Y356 WeakPolarHBondContact O-CE1 3.34Å; G354-Y356 PolarHBondContact O-N 3.36Å | ||
| 357 | Y | 45.1 | Very low | 43.1 | Very low | 220 Ų | 220 | 135 Ų | 135 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 121.2 | 152.7 | -113.8 | -100.7 | 0 | 0 | 0 | 108.2 | N355 Q359 | N355-Y357 PolarHBondContact O-N 2.99Å; Y357-Q359 VanDerWaalsContact C-N 3.32Å; Y357-Q359 PolarHBondContact O-N 3.11Å | ||
| 358 | C | 43.2 | Very low | 43.4 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -74 | 83.1 | 178.9 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 359 | Q | 43.1 | Very low | 43.4 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -116.1 | 87.8 | 165.6 | -168.2 | 142.8 | 55.5 | 0 | 0 | 108.7 | Y357 Q361 | Y357-Q359 VanDerWaalsContact C-N 3.32Å; Y357-Q359 PolarHBondContact O-N 3.11Å; Q359-Q361 VanDerWaalsContact C-N 3.25Å; Q359-Q361 PolarHBondContact O-N 3Å | ||
| 360 | E | 43.5 | Very low | 43.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 83 | 176.2 | -72.6 | -177.5 | 130.3 | 0 | 0 | 110.3 | W362 | E360-W362 PolarHBondContact O-N 2.81Š| ||
| 361 | Q | 37 | Very low | 44.2 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -67.3 | 115.8 | 165.3 | 178.7 | 164.6 | -55.4 | 0 | 0 | 108.9 | Q359 E363 | Q359-Q361 VanDerWaalsContact C-N 3.25Å; Q359-Q361 PolarHBondContact O-N 3Å; Q361-E363 HydrophobicContact CG-CG 4.19Å; Q361-E363 PolarHBondContact NE2-OE1 3.33Å; Q361-E363 PolarHBondContact O-N 3.38Å | ||
| 362 | W | 45.3 | Very low | 44.5 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 85.5 | 178.1 | -64.2 | 88.4 | 0 | 0 | 0 | 110.3 | E360 L364 | E360-W362 PolarHBondContact O-N 2.81Å; W362-L364 PolarHBondContact O-N 2.74Å | ||
| 363 | E | 45.7 | Very low | 44.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -70.6 | 116.5 | 168.4 | -65.6 | -162.7 | 157.4 | 0 | 0 | 110.2 | Q361 G365 | Q361-E363 HydrophobicContact CG-CG 4.19Å; Q361-E363 PolarHBondContact NE2-OE1 3.33Å; Q361-E363 PolarHBondContact O-N 3.38Å; E363-G365 PolarHBondContact O-N 2.91Å; E363-G365 VanDerWaalsContact O-N 3.12Å | ||
| 364 | L | 49.1 | Very low | 45.1 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 101.8 | 176.7 | -75.1 | 160.7 | 0 | 0 | 0 | 109.1 | W362 G366 | W362-L364 PolarHBondContact O-N 2.74Å; L364-G366 PolarHBondContact O-N 3.4Å | ||
| 365 | G | 43.3 | Very low | 45.3 | Very low | 77 Ų | 77 | 156.3 Ų | 156.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 107.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E363 | E363-G365 PolarHBondContact O-N 2.91Å; E363-G365 VanDerWaalsContact O-N 3.12Å | ||
| 366 | G | 40.6 | Very low | 45.9 | Very low | 71 Ų | 71 | 161.3 Ų | 161.3 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 132.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L364 | L364-G366 PolarHBondContact O-N 3.4Š| ||
| 367 | V | 47.9 | Very low | 46.1 | Very low | 130 Ų | 130 | 159.1 Ų | 159.1 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -118.4 | 105.4 | 156.8 | 176.2 | 0 | 0 | 0 | 0 | 106.4 | F369 | V367-F369 PolarHBondContact O-N 3.47Š| ||
| 368 | V | 48.1 | Very low | 46.1 | Very low | 141 Ų | 141 | 155.9 Ų | 155.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 110.5 | 175 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 369 | F | 41.3 | Very low | 46.3 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | trans | -86.9 | 109.9 | 170.9 | -146.7 | -84.5 | 0 | 0 | 0 | 108.6 | V367 Q371 | V367-F369 PolarHBondContact O-N 3.47Å; F369-Q371 PolarHBondContact O-N 3.08Å | ||
| 370 | Q | 52.8 | Low | 46.5 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 97.7 | -179.5 | -171.8 | 154.3 | 20.1 | 0 | 0 | 110.2 | N372 | Q370-N372 PolarHBondContact O-N 2.79Å; Q370-N372 VanDerWaalsContact O-N 3.1Å | ||
| 371 | Q | 54.6 | Low | 46.6 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 103.6 | 165.6 | -86.2 | -173.6 | -18 | 0 | 0 | 109.4 | F369 S373 | F369-Q371 PolarHBondContact O-N 3.08Å; Q371-S373 PolarHBondContact O-N 2.79Å | ||
| 372 | N | 48.6 | Very low | 47.3 | Very low | 147 Ų | 147 | 156.5 Ų | 156.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -68.2 | 82 | 160.8 | -100 | -1.7 | 0 | 0 | 0 | 109.3 | Q370 R374 | Q370-N372 PolarHBondContact O-N 2.79Å; Q370-N372 VanDerWaalsContact O-N 3.1Å; N372-R374 PolarHBondContact O-N 3Å | ||
| 373 | S | 45.3 | Very low | 47.4 | Very low | 87 Ų | 87 | 153.1 Ų | 153.1 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -85.5 | 90.2 | 155 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | Q371 | Q371-S373 PolarHBondContact O-N 2.79Š| ||
| 374 | R | 49.9 | Very low | 47.6 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 93.1 | 168.5 | -157.8 | 176.8 | -161.7 | 166.1 | 4.7 | 107.8 | N372 Y376 | N372-R374 PolarHBondContact O-N 3Å; R374-Y376 HydrophobicContact CG-CD2 4.31Å; R374-Y376 HydrophobicContact CG-CE2 4.48Å; R374-Y376 PolarHBondContact O-N 3.06Å | ||
| 375 | F | 45.4 | Very low | 47.4 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 132.9 | 161.2 | -81 | -95.9 | 0 | 0 | 0 | 109.3 | ||||
| 376 | Y | 51.5 | Low | 47.8 | Very low | 268 Ų | 268 | 159.3 Ų | 159.3 | 100% | 1.051 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 0 | 154.5 | -98.9 | -71.6 | 0 | 0 | 0 | 106.7 | R374 | R374-Y376 HydrophobicContact CG-CD2 4.31Å; R374-Y376 HydrophobicContact CG-CE2 4.48Å; R374-Y376 PolarHBondContact O-N 3.06Å |
Retrieved 376 of 376 residues in 364.5 ms
(Link to these results)